N-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine

C25H24N6O2 — CID 56985158

IUPACN-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1OCCNc1ccnc(C)c1
InChIInChI=1S/C25H24N6O2/c1-16-11-18(6-8-26-16)27-9-10-33-24-14-22-20(13-23(24)32-2)25(30-15-29-22)31-19-4-3-17-5-7-28-21(17)12-19/h3-8,11-15,28H,9-10H2,1-2H3,(H,26,27)(H,29,30,31)
InChIKeyMELJMVRJUNVUQB-UHFFFAOYSA-N
MW440.51 g/mol
LogP5.06
Rot. Bonds8

About N-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine

N-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine (PubChem CID 56985158) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine
PubChem CID56985158
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1OCCNc1ccnc(C)c1
InChIInChI=1S/C25H24N6O2/c1-16-11-18(6-8-26-16)27-9-10-33-24-14-22-20(13-23(24)32-2)25(30-15-29-22)31-19-4-3-17-5-7-28-21(17)12-19/h3-8,11-15,28H,9-10H2,1-2H3,(H,26,27)(H,29,30,31)
InChIKeyMELJMVRJUNVUQB-UHFFFAOYSA-N
XLogP5.06
TPSA96.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine with MolForge

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Related Compounds

N-(1H-indol-6-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 22030892
N-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine
CID 22030930
N-(1H-indol-5-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine;hydrochloride
CID 22030654
N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 22030671
4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione
CID 70206297
N-(1H-indol-5-yl)-6-methoxy-7-methylquinazolin-4-amine
CID 23537228
N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22030547
N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine
CID 15521323
N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 16876701
6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297
N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
CID 142010031
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine?
The IUPAC name of N-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine (CID 56985158) is N-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine.
What is the SMILES notation for N-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine?
The canonical SMILES for N-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine is COc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1OCCNc1ccnc(C)c1.
What is the InChIKey of N-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine?
The InChIKey is MELJMVRJUNVUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-16-11-18(6-8-26-16)27-9-10-33-24-14-22-20(13-23(24)32-2)25(30-15-29-22)31-19-4-3-17-5-7-28-21(17)12-19/h3-8,11-15,28H,9-10H2,1-2H3,(H,26,27)(H,29,30,31).
What are the key properties of N-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine?
N-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine has a molecular weight of 440.51 g/mol, XLogP of 5.06, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine is sourced from PubChem (CID 56985158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).