9-[1-(2-carbamoyl-4-chloroanilino)ethyl]-N,N,4,7-tetramethyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxamide

C24H25ClN6O3 — CID 176989793

IUPAC9-[1-(2-carbamoyl-4-chloroanilino)ethyl]-N,N,4,7-tetramethyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxamide
SMILESCc1cc(C(C)Nc2ccc(Cl)cc2C(N)=O)c2c(c1)c(=O)n(C)c1c(C(=O)N(C)C)ncn21
InChIInChI=1S/C24H25ClN6O3/c1-12-8-15(13(2)28-18-7-6-14(25)10-16(18)21(26)32)20-17(9-12)23(33)30(5)22-19(24(34)29(3)4)27-11-31(20)22/h6-11,13,28H,1-5H3,(H2,26,32)
InChIKeyYTPSHVMFXUKOGE-UHFFFAOYSA-N
MW480.96 g/mol
LogP3.12
Rot. Bonds5

About 9-[1-(2-carbamoyl-4-chloroanilino)ethyl]-N,N,4,7-tetramethyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxamide

9-[1-(2-carbamoyl-4-chloroanilino)ethyl]-N,N,4,7-tetramethyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxamide (PubChem CID 176989793) has the molecular formula C24H25ClN6O3 and a molecular weight of 480.96 g/mol. Its IUPAC name is 9-[1-(2-carbamoyl-4-chloroanilino)ethyl]-N,N,4,7-tetramethyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound Name9-[1-(2-carbamoyl-4-chloroanilino)ethyl]-N,N,4,7-tetramethyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxamide
PubChem CID176989793
Molecular FormulaC24H25ClN6O3
Molecular Weight480.96 g/mol
Exact Mass480.17
IUPAC Name9-[1-(2-carbamoyl-4-chloroanilino)ethyl]-N,N,4,7-tetramethyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxamide
SMILESCc1cc(C(C)Nc2ccc(Cl)cc2C(N)=O)c2c(c1)c(=O)n(C)c1c(C(=O)N(C)C)ncn21
InChIInChI=1S/C24H25ClN6O3/c1-12-8-15(13(2)28-18-7-6-14(25)10-16(18)21(26)32)20-17(9-12)23(33)30(5)22-19(24(34)29(3)4)27-11-31(20)22/h6-11,13,28H,1-5H3,(H2,26,32)
InChIKeyYTPSHVMFXUKOGE-UHFFFAOYSA-N
XLogP3.12
TPSA114.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-acetyl-9-[1-[[6-chloro-2-(1-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]amino]ethyl]-4,7-dimethylimidazo[1,5-a]quinazolin-5-one
CID 169253627
N'-[amino(methyl)amino]-6-chloro-3-[1-[3-[1-(2-hydroxyacetyl)piperidin-4-yl]-4,7-dimethyl-5-oxoimidazo[1,5-a]quinazolin-9-yl]ethylamino]pyridine-2-carboximidamide
CID 176989817
5-chloro-2-[[(1R)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753327
methyl 2-[1-[2-(4-chloro-2-fluorophenyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]benzoate
CID 171102930
6-chloro-3-[[(1R)-1-[2-(1-fluorocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 169155014
methyl 2-[1-(3-chloro-2,7-dimethyl-1-oxoisoquinolin-5-yl)ethylamino]benzoate
CID 174276478
6-chloro-3-[[(1R)-1-[2-(1-cyanocyclopropyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 169154776
6-chloro-3-[[(1R)-1-[2-[(1S,4S)-5-(5-fluoropyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]amino]pyridine-2-carboxamide
CID 176692415
3-[1-[2-(1-bicyclo[1.1.0]butanyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]-6-chloropyridine-2-carboxylic acid
CID 170128940
6-chloro-3-[[(1R)-1-[3,6-dimethyl-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-oxoquinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 176864357
methyl 6-chloro-3-[[(1R)-1-(2-chloro-8-methyl-10-oxo-12H-isoindolo[1,2-b]quinazolin-6-yl)ethyl]amino]pyridine-2-carboxylate
CID 178071676
6-chloro-3-[[(1R)-1-[3,6-dimethyl-2-(1-methylcyclopentyl)-4-oxoquinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 169154760

Frequently Asked Questions

What is the IUPAC name of 9-[1-(2-carbamoyl-4-chloroanilino)ethyl]-N,N,4,7-tetramethyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of 9-[1-(2-carbamoyl-4-chloroanilino)ethyl]-N,N,4,7-tetramethyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxamide (CID 176989793) is 9-[1-(2-carbamoyl-4-chloroanilino)ethyl]-N,N,4,7-tetramethyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for 9-[1-(2-carbamoyl-4-chloroanilino)ethyl]-N,N,4,7-tetramethyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for 9-[1-(2-carbamoyl-4-chloroanilino)ethyl]-N,N,4,7-tetramethyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxamide is Cc1cc(C(C)Nc2ccc(Cl)cc2C(N)=O)c2c(c1)c(=O)n(C)c1c(C(=O)N(C)C)ncn21.
What is the InChIKey of 9-[1-(2-carbamoyl-4-chloroanilino)ethyl]-N,N,4,7-tetramethyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is YTPSHVMFXUKOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O3/c1-12-8-15(13(2)28-18-7-6-14(25)10-16(18)21(26)32)20-17(9-12)23(33)30(5)22-19(24(34)29(3)4)27-11-31(20)22/h6-11,13,28H,1-5H3,(H2,26,32).
What are the key properties of 9-[1-(2-carbamoyl-4-chloroanilino)ethyl]-N,N,4,7-tetramethyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxamide?
9-[1-(2-carbamoyl-4-chloroanilino)ethyl]-N,N,4,7-tetramethyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 480.96 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2-carbamoyl-4-chloroanilino)ethyl]-N,N,4,7-tetramethyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 176989793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).