N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide

C23H19ClN4O5 — CID 46209000

IUPACN-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]c3cc(C(=O)NCc4ccc(Cl)cc4)ccc3c2=O)nc1OC
InChIInChI=1S/C23H19ClN4O5/c1-32-18-9-10-19(27-21(18)33-2)28-22(30)16-8-5-14(11-17(16)26-23(28)31)20(29)25-12-13-3-6-15(24)7-4-13/h3-11H,12H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyQJZQKWNZZXZKDY-UHFFFAOYSA-N
MW466.88 g/mol
LogP2.67
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide

N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 46209000) has the molecular formula C23H19ClN4O5 and a molecular weight of 466.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID46209000
Molecular FormulaC23H19ClN4O5
Molecular Weight466.88 g/mol
Exact Mass466.10
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]c3cc(C(=O)NCc4ccc(Cl)cc4)ccc3c2=O)nc1OC
InChIInChI=1S/C23H19ClN4O5/c1-32-18-9-10-19(27-21(18)33-2)28-22(30)16-8-5-14(11-17(16)26-23(28)31)20(29)25-12-13-3-6-15(24)7-4-13/h3-11H,12H2,1-2H3,(H,25,29)(H,26,31)
InChIKeyQJZQKWNZZXZKDY-UHFFFAOYSA-N
XLogP2.67
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.88
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide
CID 46196345
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 46209226
N-[(6-chloro-3-pyridinyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-thieno[3,2-d]pyrimidine-6-carboxamide
CID 46202806
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 22423430
methyl 3-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate
CID 46289182
N-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 1309766
methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate
CID 46289155
N-[(2-chlorocyclohexa-2,4-dien-1-yl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-thieno[3,2-d]pyrimidine-6-carboxamide
CID 91209705
N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15995150
N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17412668
N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3324304
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 46209000) is N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide is COc1ccc(-n2c(=O)[nH]c3cc(C(=O)NCc4ccc(Cl)cc4)ccc3c2=O)nc1OC.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is QJZQKWNZZXZKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O5/c1-32-18-9-10-19(27-21(18)33-2)28-22(30)16-8-5-14(11-17(16)26-23(28)31)20(29)25-12-13-3-6-15(24)7-4-13/h3-11H,12H2,1-2H3,(H,25,29)(H,26,31).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 466.88 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 46209000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).