(2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide

C23H23ClN4O2S — CID 92751010

IUPAC(2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide
SMILESCC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccccc3Cl)N2C1=O
InChIInChI=1S/C23H23ClN4O2S/c1-4-13(2)19-22(30)28-20(27-19)15-9-5-7-11-17(15)26-23(28)31-14(3)21(29)25-18-12-8-6-10-16(18)24/h5-14,19H,4H2,1-3H3,(H,25,29)/t13-,14-,19-/m0/s1
InChIKeyYZGZTRQALOTANV-NJSLBKSFSA-N
MW454.98 g/mol
LogP5.11
Rot. Bonds5

About (2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide

(2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide (PubChem CID 92751010) has the molecular formula C23H23ClN4O2S and a molecular weight of 454.98 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide
PubChem CID92751010
Molecular FormulaC23H23ClN4O2S
Molecular Weight454.98 g/mol
Exact Mass454.12
IUPAC Name(2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide
SMILESCC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccccc3Cl)N2C1=O
InChIInChI=1S/C23H23ClN4O2S/c1-4-13(2)19-22(30)28-20(27-19)15-9-5-7-11-17(15)26-23(28)31-14(3)21(29)25-18-12-8-6-10-16(18)24/h5-14,19H,4H2,1-3H3,(H,25,29)/t13-,14-,19-/m0/s1
InChIKeyYZGZTRQALOTANV-NJSLBKSFSA-N
XLogP5.11
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.98
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide with MolForge

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Related Compounds

(2R)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide
CID 98749394
(2R)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 98749404
(2R)-N-(2-chlorophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751218
(2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide
CID 92750999
N-(2-chlorophenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965529
(2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 92751149
2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide
CID 46349502
(2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750864
2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 4305426
(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 92750956
(2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750847
(2R)-N-(4-chlorophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751222

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide?
The IUPAC name of (2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide (CID 92751010) is (2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide is CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccccc3Cl)N2C1=O.
What is the InChIKey of (2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide?
The InChIKey is YZGZTRQALOTANV-NJSLBKSFSA-N. The full InChI is InChI=1S/C23H23ClN4O2S/c1-4-13(2)19-22(30)28-20(27-19)15-9-5-7-11-17(15)26-23(28)31-14(3)21(29)25-18-12-8-6-10-16(18)24/h5-14,19H,4H2,1-3H3,(H,25,29)/t13-,14-,19-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide?
(2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide has a molecular weight of 454.98 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 92751010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).