N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine

C25H29N5O3 — CID 11362859

IUPACN-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine
SMILESCOCCOc1nc(N2CCOCC2)c2cc(Nc3ccc4c(C)c(C)[nH]c4c3)ccc2n1
InChIInChI=1S/C25H29N5O3/c1-16-17(2)26-23-15-19(4-6-20(16)23)27-18-5-7-22-21(14-18)24(30-8-10-32-11-9-30)29-25(28-22)33-13-12-31-3/h4-7,14-15,26-27H,8-13H2,1-3H3
InChIKeyQSNJLSFQSDCHGI-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.33
Rot. Bonds7

About N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine

N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine (PubChem CID 11362859) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine.

Molecular Properties

Compound NameN-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine
PubChem CID11362859
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine
SMILESCOCCOc1nc(N2CCOCC2)c2cc(Nc3ccc4c(C)c(C)[nH]c4c3)ccc2n1
InChIInChI=1S/C25H29N5O3/c1-16-17(2)26-23-15-19(4-6-20(16)23)27-18-5-7-22-21(14-18)24(30-8-10-32-11-9-30)29-25(28-22)33-13-12-31-3/h4-7,14-15,26-27H,8-13H2,1-3H3
InChIKeyQSNJLSFQSDCHGI-UHFFFAOYSA-N
XLogP4.33
TPSA84.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine
CID 59218180
2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine
CID 89163595
N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide
CID 11697823
4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine
CID 11477585
1-(2-methoxyethyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea
CID 4195707
N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258584
4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine
CID 91424946
2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine
CID 11454233
ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine
CID 143533323
4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine
CID 143533307
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide
CID 59258559
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide
CID 59258676

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine?
The IUPAC name of N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine (CID 11362859) is N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine.
What is the SMILES notation for N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine?
The canonical SMILES for N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine is COCCOc1nc(N2CCOCC2)c2cc(Nc3ccc4c(C)c(C)[nH]c4c3)ccc2n1.
What is the InChIKey of N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine?
The InChIKey is QSNJLSFQSDCHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-16-17(2)26-23-15-19(4-6-20(16)23)27-18-5-7-22-21(14-18)24(30-8-10-32-11-9-30)29-25(28-22)33-13-12-31-3/h4-7,14-15,26-27H,8-13H2,1-3H3.
What are the key properties of N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine?
N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine has a molecular weight of 447.54 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine is sourced from PubChem (CID 11362859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).