N-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide

C21H22ClN3O4 — CID 1457820

IUPACN-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(CC(C)C)nc3cc(Cl)ccc3c2=O)c(OC)c1
InChIInChI=1S/C21H22ClN3O4/c1-12(2)9-19-23-17-10-13(22)5-7-15(17)21(27)25(19)24-20(26)16-8-6-14(28-3)11-18(16)29-4/h5-8,10-12H,9H2,1-4H3,(H,24,26)
InChIKeyTYJWPUNQRWJGDH-UHFFFAOYSA-N
MW415.88 g/mol
LogP3.65
Rot. Bonds6

About N-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide

N-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide (PubChem CID 1457820) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide
PubChem CID1457820
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC NameN-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(CC(C)C)nc3cc(Cl)ccc3c2=O)c(OC)c1
InChIInChI=1S/C21H22ClN3O4/c1-12(2)9-19-23-17-10-13(22)5-7-15(17)21(27)25(19)24-20(26)16-8-6-14(28-3)11-18(16)29-4/h5-8,10-12H,9H2,1-4H3,(H,24,26)
InChIKeyTYJWPUNQRWJGDH-UHFFFAOYSA-N
XLogP3.65
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide
CID 23905907
2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 936109
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(2,4-dimethoxyphenyl)-1-ethylurea
CID 42713036
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 16510040
4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid
CID 45436153
1-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2,4-dimethoxyphenyl)-1-propylurea
CID 42717926
4-chloro-2-methoxy-N'-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide
CID 34596366
methyl 2-[7-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 2574962
N-(3-chlorobutyl)-2,4-dimethoxybenzamide
CID 114301807
4-chloro-N-(2-chloro-3-methylbutyl)-2-methoxybenzamide
CID 113492957
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide
CID 63298974
N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide
CID 11279720

Frequently Asked Questions

What is the IUPAC name of N-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide (CID 1457820) is N-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nn2c(CC(C)C)nc3cc(Cl)ccc3c2=O)c(OC)c1.
What is the InChIKey of N-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide?
The InChIKey is TYJWPUNQRWJGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-12(2)9-19-23-17-10-13(22)5-7-15(17)21(27)25(19)24-20(26)16-8-6-14(28-3)11-18(16)29-4/h5-8,10-12H,9H2,1-4H3,(H,24,26).
What are the key properties of N-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide?
N-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide has a molecular weight of 415.88 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 1457820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).