(2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide

C22H21FN4O2S — CID 92750864

IUPAC(2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
SMILESCC(C)[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccc(F)cc3)N2C1=O
InChIInChI=1S/C22H21FN4O2S/c1-12(2)18-21(29)27-19(26-18)16-6-4-5-7-17(16)25-22(27)30-13(3)20(28)24-15-10-8-14(23)9-11-15/h4-13,18H,1-3H3,(H,24,28)/t13-,18-/m0/s1
InChIKeyIPGNQXYQYJMARF-UGSOOPFHSA-N
MW424.50 g/mol
LogP4.20
Rot. Bonds4

About (2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide

(2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide (PubChem CID 92750864) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
PubChem CID92750864
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC Name(2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
SMILESCC(C)[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccc(F)cc3)N2C1=O
InChIInChI=1S/C22H21FN4O2S/c1-12(2)18-21(29)27-19(26-18)16-6-4-5-7-17(16)25-22(27)30-13(3)20(28)24-15-10-8-14(23)9-11-15/h4-13,18H,1-3H3,(H,24,28)/t13-,18-/m0/s1
InChIKeyIPGNQXYQYJMARF-UGSOOPFHSA-N
XLogP4.20
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750847
(2R)-2-[[(2S)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 98749404
(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
(2R)-N-(4-chlorophenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751222
(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-methoxyphenyl)-2-[[(2S)-2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751087
(2S)-N-(4-methoxyphenyl)-2-[[(2R)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92751201
(2R)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 92751144
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide (CID 92750864) is (2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide is CC(C)[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3ccc(F)cc3)N2C1=O.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
The InChIKey is IPGNQXYQYJMARF-UGSOOPFHSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-12(2)18-21(29)27-19(26-18)16-6-4-5-7-17(16)25-22(27)30-13(3)20(28)24-15-10-8-14(23)9-11-15/h4-13,18H,1-3H3,(H,24,28)/t13-,18-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide?
(2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide has a molecular weight of 424.50 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-[[(2S)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide is sourced from PubChem (CID 92750864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).