(2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide

C27H23ClN4O2S — CID 92751122

IUPAC(2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide
SMILESCC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](Cc3ccccc3)C(=O)N12)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C27H23ClN4O2S/c1-2-23(25(33)29-19-14-12-18(28)13-15-19)35-27-31-21-11-7-6-10-20(21)24-30-22(26(34)32(24)27)16-17-8-4-3-5-9-17/h3-15,22-23H,2,16H2,1H3,(H,29,33)/t22-,23+/m0/s1
InChIKeySFYUUGKSVHTKAF-XZOQPEGZSA-N
MW503.03 g/mol
LogP5.69
Rot. Bonds6

About (2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide

(2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide (PubChem CID 92751122) has the molecular formula C27H23ClN4O2S and a molecular weight of 503.03 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide
PubChem CID92751122
Molecular FormulaC27H23ClN4O2S
Molecular Weight503.03 g/mol
Exact Mass502.12
IUPAC Name(2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide
SMILESCC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](Cc3ccccc3)C(=O)N12)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C27H23ClN4O2S/c1-2-23(25(33)29-19-14-12-18(28)13-15-19)35-27-31-21-11-7-6-10-20(21)24-30-22(26(34)32(24)27)16-17-8-4-3-5-9-17/h3-15,22-23H,2,16H2,1H3,(H,29,33)/t22-,23+/m0/s1
InChIKeySFYUUGKSVHTKAF-XZOQPEGZSA-N
XLogP5.69
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.03
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-fluorophenyl)butanamide
CID 20965642
(2S)-N-(4-ethylphenyl)-2-[[(2R)-3-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98359220
(2R)-N-(4-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92750882
(2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide
CID 98331508
2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide
CID 3441649
(2S)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92751047
(2S)-N-(4-ethylphenyl)-2-[[(2R)-3-oxo-2-[3-oxo-3-(2-phenylethylamino)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98186772
N-(4-ethylphenyl)-2-[[3-oxo-2-[3-oxo-3-(2-phenylethylamino)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 46506349
(2R)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 92751144
(2S)-N-(4-methoxyphenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92751055
(2R)-2-[[(2R)-2-[3-(butylamino)-3-oxopropyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-ethylphenyl)butanamide
CID 92694487
(2R)-N-(4-ethylphenyl)-2-[[(2R)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98357613

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide?
The IUPAC name of (2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide (CID 92751122) is (2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide.
What is the SMILES notation for (2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide?
The canonical SMILES for (2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide is CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](Cc3ccccc3)C(=O)N12)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide?
The InChIKey is SFYUUGKSVHTKAF-XZOQPEGZSA-N. The full InChI is InChI=1S/C27H23ClN4O2S/c1-2-23(25(33)29-19-14-12-18(28)13-15-19)35-27-31-21-11-7-6-10-20(21)24-30-22(26(34)32(24)27)16-17-8-4-3-5-9-17/h3-15,22-23H,2,16H2,1H3,(H,29,33)/t22-,23+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide?
(2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide has a molecular weight of 503.03 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide is sourced from PubChem (CID 92751122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).