N-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine

C23H18N4O — CID 165019705

IUPACN-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine
SMILESCOc1cccc2c(Nc3ccc4c(c3)C=CC4)nc(-c3ccncc3)nc12
InChIInChI=1S/C23H18N4O/c1-28-20-7-3-6-19-21(20)26-22(16-10-12-24-13-11-16)27-23(19)25-18-9-8-15-4-2-5-17(15)14-18/h2-3,5-14H,4H2,1H3,(H,25,26,27)
InChIKeyKZAJCWCUUXLPSX-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.01
Rot. Bonds4

About N-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine

N-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 165019705) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine
PubChem CID165019705
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC NameN-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine
SMILESCOc1cccc2c(Nc3ccc4c(c3)C=CC4)nc(-c3ccncc3)nc12
InChIInChI=1S/C23H18N4O/c1-28-20-7-3-6-19-21(20)26-22(16-10-12-24-13-11-16)27-23(19)25-18-9-8-15-4-2-5-17(15)14-18/h2-3,5-14H,4H2,1H3,(H,25,26,27)
InChIKeyKZAJCWCUUXLPSX-UHFFFAOYSA-N
XLogP5.01
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine
CID 165085235
N-(1H-inden-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine
CID 165007443
N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-4-ylquinazolin-4-amine
CID 70789671
N-(2-tert-butyl-1H-inden-5-yl)-2-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine
CID 164998681
2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 165037811
N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 1126120
N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridin-4-ylquinazolin-4-amine
CID 70789698
4-[4-(1H-isoindol-5-ylamino)quinazolin-2-yl]phenol
CID 164969444
N-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 70789702
N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963225
N-(3,4-dimethylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 22330312
1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one
CID 92551807

Frequently Asked Questions

What is the IUPAC name of N-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine (CID 165019705) is N-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine is COc1cccc2c(Nc3ccc4c(c3)C=CC4)nc(-c3ccncc3)nc12.
What is the InChIKey of N-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is KZAJCWCUUXLPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-28-20-7-3-6-19-21(20)26-22(16-10-12-24-13-11-16)27-23(19)25-18-9-8-15-4-2-5-17(15)14-18/h2-3,5-14H,4H2,1H3,(H,25,26,27).
What are the key properties of N-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine?
N-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 366.42 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 165019705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).