1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine

C24H23N5O — CID 71180671

IUPAC1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(N3CCc4cc(N(C)C)ccc43)c2c1
InChIInChI=1S/C24H23N5O/c1-28(2)18-6-9-22-16(13-18)10-12-29(22)24-20-14-19(30-3)7-8-21(20)26-23(27-24)17-5-4-11-25-15-17/h4-9,11,13-15H,10,12H2,1-3H3
InChIKeyNIPFDQDNABAQNA-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.46
Rot. Bonds4

About 1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine

1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine (PubChem CID 71180671) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine
PubChem CID71180671
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine
SMILESCOc1ccc2nc(-c3cccnc3)nc(N3CCc4cc(N(C)C)ccc43)c2c1
InChIInChI=1S/C24H23N5O/c1-28(2)18-6-9-22-16(13-18)10-12-29(22)24-20-14-19(30-3)7-8-21(20)26-23(27-24)17-5-4-11-25-15-17/h4-9,11,13-15H,10,12H2,1-3H3
InChIKeyNIPFDQDNABAQNA-UHFFFAOYSA-N
XLogP4.46
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine with MolForge

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Related Compounds

ethane;1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N-methyl-2,3-dihydroindol-5-amine;3-methylbutanal
CID 144501291
6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
CID 141404533
6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
CID 71181032
4-(5-fluoroindol-1-yl)-6-methoxy-2-pyridin-3-ylquinazoline
CID 71273721
6-(3-methoxyphenyl)-4-(3-phenylpyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 71274753
methyl N-(2,3-dihydro-1H-indol-6-yl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)carbamate;dihydrochloride
CID 89315381
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 71181163
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112
6-methoxy-2-pyridin-3-yl-N-quinolin-6-ylquinazolin-4-amine
CID 71274406
N-(2,6-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274367
6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
CID 144501093
6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine
CID 71274409

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine?
The IUPAC name of 1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine (CID 71180671) is 1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine is COc1ccc2nc(-c3cccnc3)nc(N3CCc4cc(N(C)C)ccc43)c2c1.
What is the InChIKey of 1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine?
The InChIKey is NIPFDQDNABAQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-28(2)18-6-9-22-16(13-18)10-12-29(22)24-20-14-19(30-3)7-8-21(20)26-23(27-24)17-5-4-11-25-15-17/h4-9,11,13-15H,10,12H2,1-3H3.
What are the key properties of 1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine?
1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine has a molecular weight of 397.48 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine is sourced from PubChem (CID 71180671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).