2,4-dioxo-3-phenyl-N-(3-pyridin-4-yloxyphenyl)-1H-quinazoline-7-carboxamide

C26H18N4O4 — CID 154851202

IUPAC2,4-dioxo-3-phenyl-N-(3-pyridin-4-yloxyphenyl)-1H-quinazoline-7-carboxamide
SMILESO=C(Nc1cccc(Oc2ccncc2)c1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C26H18N4O4/c31-24(28-18-5-4-8-21(16-18)34-20-11-13-27-14-12-20)17-9-10-22-23(15-17)29-26(33)30(25(22)32)19-6-2-1-3-7-19/h1-16H,(H,28,31)(H,29,33)
InChIKeyRLNJDDTVRPJIAV-UHFFFAOYSA-N
MW450.45 g/mol
LogP4.12
Rot. Bonds5

About 2,4-dioxo-3-phenyl-N-(3-pyridin-4-yloxyphenyl)-1H-quinazoline-7-carboxamide

2,4-dioxo-3-phenyl-N-(3-pyridin-4-yloxyphenyl)-1H-quinazoline-7-carboxamide (PubChem CID 154851202) has the molecular formula C26H18N4O4 and a molecular weight of 450.45 g/mol. Its IUPAC name is 2,4-dioxo-3-phenyl-N-(3-pyridin-4-yloxyphenyl)-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-3-phenyl-N-(3-pyridin-4-yloxyphenyl)-1H-quinazoline-7-carboxamide
PubChem CID154851202
Molecular FormulaC26H18N4O4
Molecular Weight450.45 g/mol
Exact Mass450.13
IUPAC Name2,4-dioxo-3-phenyl-N-(3-pyridin-4-yloxyphenyl)-1H-quinazoline-7-carboxamide
SMILESO=C(Nc1cccc(Oc2ccncc2)c1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C26H18N4O4/c31-24(28-18-5-4-8-21(16-18)34-20-11-13-27-14-12-20)17-9-10-22-23(15-17)29-26(33)30(25(22)32)19-6-2-1-3-7-19/h1-16H,(H,28,31)(H,29,33)
InChIKeyRLNJDDTVRPJIAV-UHFFFAOYSA-N
XLogP4.12
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylpyrazol-3-yl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17494842
2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide
CID 24531731
2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide
CID 24649182
N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17412668
N-(4-chloro-2-fluorophenyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 27009784
2,4-dioxo-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide
CID 24668194
3-(4-methoxyphenyl)-4-oxo-N-pyridin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 5143124
2,4-dioxo-3-phenyl-N-prop-2-ynyl-1H-quinazoline-7-carboxamide
CID 17434509
2,4-dioxo-3-phenyl-N-(2-pyridin-2-ylethyl)-1H-quinazoline-7-carboxamide
CID 24540652
N-[3-(difluoromethoxy)phenyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55849337
N-(3,5-dimethylphenyl)-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 15994607
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-3-phenyl-N-(3-pyridin-4-yloxyphenyl)-1H-quinazoline-7-carboxamide?
The IUPAC name of 2,4-dioxo-3-phenyl-N-(3-pyridin-4-yloxyphenyl)-1H-quinazoline-7-carboxamide (CID 154851202) is 2,4-dioxo-3-phenyl-N-(3-pyridin-4-yloxyphenyl)-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 2,4-dioxo-3-phenyl-N-(3-pyridin-4-yloxyphenyl)-1H-quinazoline-7-carboxamide?
The canonical SMILES for 2,4-dioxo-3-phenyl-N-(3-pyridin-4-yloxyphenyl)-1H-quinazoline-7-carboxamide is O=C(Nc1cccc(Oc2ccncc2)c1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of 2,4-dioxo-3-phenyl-N-(3-pyridin-4-yloxyphenyl)-1H-quinazoline-7-carboxamide?
The InChIKey is RLNJDDTVRPJIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O4/c31-24(28-18-5-4-8-21(16-18)34-20-11-13-27-14-12-20)17-9-10-22-23(15-17)29-26(33)30(25(22)32)19-6-2-1-3-7-19/h1-16H,(H,28,31)(H,29,33).
What are the key properties of 2,4-dioxo-3-phenyl-N-(3-pyridin-4-yloxyphenyl)-1H-quinazoline-7-carboxamide?
2,4-dioxo-3-phenyl-N-(3-pyridin-4-yloxyphenyl)-1H-quinazoline-7-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-3-phenyl-N-(3-pyridin-4-yloxyphenyl)-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 154851202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).