N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine

C25H30N6O2 — CID 22030671

IUPACN-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1OCCCN1CCN(C)CC1
InChIInChI=1S/C25H30N6O2/c1-30-9-11-31(12-10-30)8-3-13-33-24-16-22-20(15-23(24)32-2)25(28-17-27-22)29-19-4-5-21-18(14-19)6-7-26-21/h4-7,14-17,26H,3,8-13H2,1-2H3,(H,27,28,29)
InChIKeySGYAMWCVAYISSG-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.88
Rot. Bonds8

About N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine

N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine (PubChem CID 22030671) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
PubChem CID22030671
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC NameN-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1OCCCN1CCN(C)CC1
InChIInChI=1S/C25H30N6O2/c1-30-9-11-31(12-10-30)8-3-13-33-24-16-22-20(15-23(24)32-2)25(28-17-27-22)29-19-4-5-21-18(14-19)6-7-26-21/h4-7,14-17,26H,3,8-13H2,1-2H3,(H,27,28,29)
InChIKeySGYAMWCVAYISSG-UHFFFAOYSA-N
XLogP3.88
TPSA78.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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-5-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine;hydrochloride
CID 22030654
4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
CID 22030853
N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22030547
4-[(6-fluoro-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
CID 22030676
N-(1H-indol-5-yl)-6-methoxy-7-methylquinazolin-4-amine
CID 23537228
4-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione
CID 70206297
N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine
CID 15521323
N-[4-(1,3-benzothiazol-2-yl)phenyl]-7-methoxy-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 46225635
N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 46225610
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-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 19077516

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine?
The IUPAC name of N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine (CID 22030671) is N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine.
What is the SMILES notation for N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine?
The canonical SMILES for N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine is COc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1OCCCN1CCN(C)CC1.
What is the InChIKey of N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine?
The InChIKey is SGYAMWCVAYISSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-30-9-11-31(12-10-30)8-3-13-33-24-16-22-20(15-23(24)32-2)25(28-17-27-22)29-19-4-5-21-18(14-19)6-7-26-21/h4-7,14-17,26H,3,8-13H2,1-2H3,(H,27,28,29).
What are the key properties of N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine?
N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine has a molecular weight of 446.56 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine is sourced from PubChem (CID 22030671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).