2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide

C21H19ClN4O4 — CID 55970544

IUPAC2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C21H19ClN4O4/c22-16-11-13(7-8-14(16)19(28)24-12-5-6-12)23-18(27)9-10-26-17-4-2-1-3-15(17)20(29)25-21(26)30/h1-4,7-8,11-12H,5-6,9-10H2,(H,23,27)(H,24,28)(H,25,29,30)
InChIKeyLNFOMZZCZYEQOO-UHFFFAOYSA-N
MW426.86 g/mol
LogP2.26
Rot. Bonds6

About 2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide

2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide (PubChem CID 55970544) has the molecular formula C21H19ClN4O4 and a molecular weight of 426.86 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide
PubChem CID55970544
Molecular FormulaC21H19ClN4O4
Molecular Weight426.86 g/mol
Exact Mass426.11
IUPAC Name2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C21H19ClN4O4/c22-16-11-13(7-8-14(16)19(28)24-12-5-6-12)23-18(27)9-10-26-17-4-2-1-3-15(17)20(29)25-21(26)30/h1-4,7-8,11-12H,5-6,9-10H2,(H,23,27)(H,24,28)(H,25,29,30)
InChIKeyLNFOMZZCZYEQOO-UHFFFAOYSA-N
XLogP2.26
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 60602373
4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide
CID 25485041
N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide
CID 33345317
3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 166189122
N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 17464541
N-benzhydryl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 18104755
2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 55805438
2-chloro-N-cyclopropyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
CID 55805084
3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 25394121
3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
CID 17452721
2-chloro-4-[3-(2-chloro-4-fluorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 55805375

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide (CID 55970544) is 2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(C(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide?
The InChIKey is LNFOMZZCZYEQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4/c22-16-11-13(7-8-14(16)19(28)24-12-5-6-12)23-18(27)9-10-26-17-4-2-1-3-15(17)20(29)25-21(26)30/h1-4,7-8,11-12H,5-6,9-10H2,(H,23,27)(H,24,28)(H,25,29,30).
What are the key properties of 2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide?
2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide has a molecular weight of 426.86 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide is sourced from PubChem (CID 55970544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).