N-[3-[2-amino-6-[4-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]quinazolin-8-yl]phenyl]-2-oxoacetamide

C27H19N5O4 — CID 146637162

IUPACN-[3-[2-amino-6-[4-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]quinazolin-8-yl]phenyl]-2-oxoacetamide
SMILESNc1ncc2cc(-c3ccc(Oc4cc(=O)cc[nH]4)cc3)cc(-c3cccc(NC(=O)C=O)c3)c2n1
InChIInChI=1S/C27H19N5O4/c28-27-30-14-19-10-18(16-4-6-22(7-5-16)36-25-13-21(34)8-9-29-25)12-23(26(19)32-27)17-2-1-3-20(11-17)31-24(35)15-33/h1-15H,(H,29,34)(H,31,35)(H2,28,30,32)
InChIKeyJHHLUORPNNOHQU-UHFFFAOYSA-N
MW477.48 g/mol
LogP4.16
Rot. Bonds6

About N-[3-[2-amino-6-[4-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]quinazolin-8-yl]phenyl]-2-oxoacetamide

N-[3-[2-amino-6-[4-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]quinazolin-8-yl]phenyl]-2-oxoacetamide (PubChem CID 146637162) has the molecular formula C27H19N5O4 and a molecular weight of 477.48 g/mol. Its IUPAC name is N-[3-[2-amino-6-[4-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]quinazolin-8-yl]phenyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[3-[2-amino-6-[4-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]quinazolin-8-yl]phenyl]-2-oxoacetamide
PubChem CID146637162
Molecular FormulaC27H19N5O4
Molecular Weight477.48 g/mol
Exact Mass477.14
IUPAC NameN-[3-[2-amino-6-[4-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]quinazolin-8-yl]phenyl]-2-oxoacetamide
SMILESNc1ncc2cc(-c3ccc(Oc4cc(=O)cc[nH]4)cc3)cc(-c3cccc(NC(=O)C=O)c3)c2n1
InChIInChI=1S/C27H19N5O4/c28-27-30-14-19-10-18(16-4-6-22(7-5-16)36-25-13-21(34)8-9-29-25)12-23(26(19)32-27)17-2-1-3-20(11-17)31-24(35)15-33/h1-15H,(H,29,34)(H,31,35)(H2,28,30,32)
InChIKeyJHHLUORPNNOHQU-UHFFFAOYSA-N
XLogP4.16
TPSA140.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-[2-amino-6-[4-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]quinazolin-8-yl]phenyl]-2-oxoacetamide with MolForge

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Related Compounds

N-[3-[2-amino-6-(2-fluoro-4-pyridin-2-yloxyphenyl)quinazolin-8-yl]phenyl]prop-2-enamide
CID 134265414
N-[3-[2-amino-6-(3-fluoro-4-pyridin-2-yloxyphenyl)quinazolin-8-yl]phenyl]prop-2-enamide
CID 134265044
N-[3-[2-amino-6-(2-isocyanophenyl)quinazolin-8-yl]phenyl]prop-2-enamide
CID 140850723
4-[2-amino-8-[3-(prop-2-enoylamino)phenyl]quinazolin-6-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 134265085
N-[3-(2,6-diphenylquinazolin-8-yl)phenyl]prop-2-enamide
CID 134264530
8-[3-(buta-1,3-dien-2-ylamino)phenyl]-6-(2-methoxy-4-pyridin-2-yloxyphenyl)quinazolin-2-amine
CID 167083047
4-[8-[3-(prop-2-enoylamino)phenyl]quinazolin-6-yl]benzoic acid
CID 146637171
N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide
CID 134264823
N-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide
CID 134276293
N-[3-[6-(3-fluoro-4-pyridin-2-yloxyphenyl)quinazolin-8-yl]phenyl]prop-2-enamide
CID 134264800
N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
CID 162526689
N-[3-[2-amino-6-[(3R)-3-fluoro-4-pyridin-2-yloxycyclohexyl]quinazolin-8-yl]phenyl]prop-2-enamide
CID 167083040

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-6-[4-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]quinazolin-8-yl]phenyl]-2-oxoacetamide?
The IUPAC name of N-[3-[2-amino-6-[4-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]quinazolin-8-yl]phenyl]-2-oxoacetamide (CID 146637162) is N-[3-[2-amino-6-[4-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]quinazolin-8-yl]phenyl]-2-oxoacetamide.
What is the SMILES notation for N-[3-[2-amino-6-[4-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]quinazolin-8-yl]phenyl]-2-oxoacetamide?
The canonical SMILES for N-[3-[2-amino-6-[4-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]quinazolin-8-yl]phenyl]-2-oxoacetamide is Nc1ncc2cc(-c3ccc(Oc4cc(=O)cc[nH]4)cc3)cc(-c3cccc(NC(=O)C=O)c3)c2n1.
What is the InChIKey of N-[3-[2-amino-6-[4-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]quinazolin-8-yl]phenyl]-2-oxoacetamide?
The InChIKey is JHHLUORPNNOHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O4/c28-27-30-14-19-10-18(16-4-6-22(7-5-16)36-25-13-21(34)8-9-29-25)12-23(26(19)32-27)17-2-1-3-20(11-17)31-24(35)15-33/h1-15H,(H,29,34)(H,31,35)(H2,28,30,32).
What are the key properties of N-[3-[2-amino-6-[4-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]quinazolin-8-yl]phenyl]-2-oxoacetamide?
N-[3-[2-amino-6-[4-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]quinazolin-8-yl]phenyl]-2-oxoacetamide has a molecular weight of 477.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-6-[4-[(4-oxo-1H-pyridin-2-yl)oxy]phenyl]quinazolin-8-yl]phenyl]-2-oxoacetamide is sourced from PubChem (CID 146637162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).