2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine;2-(4-ethylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(6-methoxy-3-pyridinyl)quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-amine

C103H102N20O10 — CID 158859108

IUPAC2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine;2-(4-ethylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(6-methoxy-3-pyridinyl)quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-amine
SMILESCCN1CCN(c2nc(NCCc3c[nH]c4ccccc34)c3cc(OC)c(OC)cc3n2)CC1.COc1cc2nc(-c3cccnc3)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.COc1ccc(-c2nc(NCCc3c[nH]c4ccccc34)c3cc(OC)c(OC)cc3n2)cn1.COc1ccc2nc(-c3ccc4c(c3)OCO4)nc(NCCc3c[nH]c4ccccc34)c2c1
InChIInChI=1S/C26H32N6O2.C26H25N5O3.C26H22N4O3.C25H23N5O2/c1-4-31-11-13-32(14-12-31)26-29-22-16-24(34-3)23(33-2)15-20(22)25(30-26)27-10-9-18-17-28-21-8-6-5-7-19(18)21;1-32-22-12-19-21(13-23(22)33-2)30-25(17-8-9-24(34-3)29-15-17)31-26(19)27-11-10-16-14-28-20-7-5-4-6-18(16)20;1-31-18-7-8-22-20(13-18)26(27-11-10-17-14-28-21-5-3-2-4-19(17)21)30-25(29-22)16-6-9-23-24(12-16)33-15-32-23;1-31-22-12-19-21(13-23(22)32-2)29-24(17-6-5-10-26-14-17)30-25(19)27-11-9-16-15-28-20-8-4-3-7-18(16)20/h5-8,15-17,28H,4,9-14H2,1-3H3,(H,27,29,30);4-9,12-15,28H,10-11H2,1-3H3,(H,27,30,31);2-9,12-14,28H,10-11,15H2,1H3,(H,27,29,30);3-8,10,12-15,28H,9,11H2,1-2H3,(H,27,29,30)
InChIKeyJAKWSBXFVDIGRR-UHFFFAOYSA-N
MW1780.08 g/mol
LogP18.79
Rot. Bonds29

About 2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine;2-(4-ethylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(6-methoxy-3-pyridinyl)quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-amine

2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine;2-(4-ethylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(6-methoxy-3-pyridinyl)quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 158859108) has the molecular formula C103H102N20O10 and a molecular weight of 1780.08 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine;2-(4-ethylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(6-methoxy-3-pyridinyl)quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine;2-(4-ethylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(6-methoxy-3-pyridinyl)quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-amine
PubChem CID158859108
Molecular FormulaC103H102N20O10
Molecular Weight1780.08 g/mol
Exact Mass1778.81
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine;2-(4-ethylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(6-methoxy-3-pyridinyl)quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-amine
SMILESCCN1CCN(c2nc(NCCc3c[nH]c4ccccc34)c3cc(OC)c(OC)cc3n2)CC1.COc1cc2nc(-c3cccnc3)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.COc1ccc(-c2nc(NCCc3c[nH]c4ccccc34)c3cc(OC)c(OC)cc3n2)cn1.COc1ccc2nc(-c3ccc4c(c3)OCO4)nc(NCCc3c[nH]c4ccccc34)c2c1
InChIInChI=1S/C26H32N6O2.C26H25N5O3.C26H22N4O3.C25H23N5O2/c1-4-31-11-13-32(14-12-31)26-29-22-16-24(34-3)23(33-2)15-20(22)25(30-26)27-10-9-18-17-28-21-8-6-5-7-19(18)21;1-32-22-12-19-21(13-23(22)33-2)30-25(17-8-9-24(34-3)29-15-17)31-26(19)27-11-10-16-14-28-20-7-5-4-6-18(16)20;1-31-18-7-8-22-20(13-18)26(27-11-10-17-14-28-21-5-3-2-4-19(17)21)30-25(29-22)16-6-9-23-24(12-16)33-15-32-23;1-31-22-12-19-21(13-23(22)32-2)29-24(17-6-5-10-26-14-17)30-25(19)27-11-9-16-15-28-20-8-4-3-7-18(16)20/h5-8,15-17,28H,4,9-14H2,1-3H3,(H,27,29,30);4-9,12-15,28H,10-11H2,1-3H3,(H,27,30,31);2-9,12-14,28H,10-11,15H2,1H3,(H,27,29,30);3-8,10,12-15,28H,9,11H2,1-2H3,(H,27,29,30)
InChIKeyJAKWSBXFVDIGRR-UHFFFAOYSA-N
XLogP18.79
TPSA338.96 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001780.08
LogP ≤ 518.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine;2-(4-ethylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(6-methoxy-3-pyridinyl)quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-amine with MolForge

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Related Compounds

4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide
CID 10121709
4-[6-Methoxy-7-(2-methoxy-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid [4-(1H-indol-5-yloxy)-phenyl]-amide
CID 10209993
1-Benzo[1,3]dioxol-5-yl-2-[5-(3,4-dimethoxy-phenyl)-pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 11049430
1-Benzo[1,3]dioxol-5-yl-2-[5-(4-methoxy-phenyl)-pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 11123617
6,7-dimethoxy-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]quinazolin-4-amine
CID 56948742
6-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 3233257
N'-(5-ethyl-9-methoxy-11-methyl-6H-indolo[2,3-b][1,6]naphthyridin-5-ium-1-yl)-N-[3-[(5-ethyl-9-methoxy-11-methyl-6H-indolo[2,3-b][1,6]naphthyridin-5-ium-1-yl)amino]propyl]propane-1,3-diamine
CID 44438255
2-N,4-N-bis(1-benzylindol-5-yl)-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532251
4-(6,7-Dimethoxy-9H-1,3,9-triaza-fluoren-4-yl)-piperazine-1-carbothioic acid(benzo[1,3]dioxol-5-ylmethyl)-amide
CID 11237489
N-(1-benzylpiperidin-4-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 89821582
N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-quinolin-8-ylquinazolin-4-amine
CID 135134611
1-(1,3-Benzodioxol-5-yl)-2-[4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 46855310

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine;2-(4-ethylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(6-methoxy-3-pyridinyl)quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine;2-(4-ethylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(6-methoxy-3-pyridinyl)quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-amine (CID 158859108) is 2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine;2-(4-ethylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(6-methoxy-3-pyridinyl)quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine;2-(4-ethylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(6-methoxy-3-pyridinyl)quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine;2-(4-ethylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(6-methoxy-3-pyridinyl)quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-amine is CCN1CCN(c2nc(NCCc3c[nH]c4ccccc34)c3cc(OC)c(OC)cc3n2)CC1.COc1cc2nc(-c3cccnc3)nc(NCCc3c[nH]c4ccccc34)c2cc1OC.COc1ccc(-c2nc(NCCc3c[nH]c4ccccc34)c3cc(OC)c(OC)cc3n2)cn1.COc1ccc2nc(-c3ccc4c(c3)OCO4)nc(NCCc3c[nH]c4ccccc34)c2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine;2-(4-ethylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(6-methoxy-3-pyridinyl)quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is JAKWSBXFVDIGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2.C26H25N5O3.C26H22N4O3.C25H23N5O2/c1-4-31-11-13-32(14-12-31)26-29-22-16-24(34-3)23(33-2)15-20(22)25(30-26)27-10-9-18-17-28-21-8-6-5-7-19(18)21;1-32-22-12-19-21(13-23(22)33-2)30-25(17-8-9-24(34-3)29-15-17)31-26(19)27-11-10-16-14-28-20-7-5-4-6-18(16)20;1-31-18-7-8-22-20(13-18)26(27-11-10-17-14-28-21-5-3-2-4-19(17)21)30-25(29-22)16-6-9-23-24(12-16)33-15-32-23;1-31-22-12-19-21(13-23(22)32-2)29-24(17-6-5-10-26-14-17)30-25(19)27-11-9-16-15-28-20-8-4-3-7-18(16)20/h5-8,15-17,28H,4,9-14H2,1-3H3,(H,27,29,30);4-9,12-15,28H,10-11H2,1-3H3,(H,27,30,31);2-9,12-14,28H,10-11,15H2,1H3,(H,27,29,30);3-8,10,12-15,28H,9,11H2,1-2H3,(H,27,29,30).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine;2-(4-ethylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(6-methoxy-3-pyridinyl)quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-amine?
2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine;2-(4-ethylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(6-methoxy-3-pyridinyl)quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 1780.08 g/mol, XLogP of 18.79, 29 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[2-(1H-indol-3-yl)ethyl]-6-methoxyquinazolin-4-amine;2-(4-ethylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(6-methoxy-3-pyridinyl)quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 158859108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).