(2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide

C23H24N4O2S — CID 92750847

IUPAC(2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N23)c1
InChIInChI=1S/C23H24N4O2S/c1-13(2)19-22(29)27-20(26-19)17-10-5-6-11-18(17)25-23(27)30-15(4)21(28)24-16-9-7-8-14(3)12-16/h5-13,15,19H,1-4H3,(H,24,28)/t15-,19-/m1/s1
InChIKeyGEWITIOXRMIWTF-DNVCBOLYSA-N
MW420.54 g/mol
LogP4.37
Rot. Bonds4

About (2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide

(2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide (PubChem CID 92750847) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is (2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
PubChem CID92750847
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name(2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N23)c1
InChIInChI=1S/C23H24N4O2S/c1-13(2)19-22(29)27-20(26-19)17-10-5-6-11-18(17)25-23(27)30-15(4)21(28)24-16-9-7-8-14(3)12-16/h5-13,15,19H,1-4H3,(H,24,28)/t15-,19-/m1/s1
InChIKeyGEWITIOXRMIWTF-DNVCBOLYSA-N
XLogP4.37
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-methylphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751211
(2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750864
(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-(3-methoxyphenyl)-2-[[(2S)-2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750776
(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 92750956
(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-(3-methoxyphenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92694432
(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
(2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751231
(2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751116
(2R)-N-(4-chlorophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751222
N-(3,5-dimethoxyphenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 50798608

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide (CID 92750847) is (2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide is Cc1cccc(NC(=O)[C@@H](C)SC2=Nc3ccccc3C3=N[C@H](C(C)C)C(=O)N23)c1.
What is the InChIKey of (2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The InChIKey is GEWITIOXRMIWTF-DNVCBOLYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-13(2)19-22(29)27-20(26-19)17-10-5-6-11-18(17)25-23(27)30-15(4)21(28)24-16-9-7-8-14(3)12-16/h5-13,15,19H,1-4H3,(H,24,28)/t15-,19-/m1/s1.
What are the key properties of (2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
(2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide has a molecular weight of 420.54 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide is sourced from PubChem (CID 92750847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).