(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide

C22H24ClN3O2S — CID 41052877

IUPAC(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide
SMILESCCCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C22H24ClN3O2S/c1-4-12-26-21(28)18-11-10-17(23)13-19(18)25-22(26)29-15(3)20(27)24-14(2)16-8-6-5-7-9-16/h5-11,13-15H,4,12H2,1-3H3,(H,24,27)/t14-,15-/m1/s1
InChIKeyZWRBRHABRAOLSA-HUUCEWRRSA-N
MW429.97 g/mol
LogP4.82
Rot. Bonds7

About (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide

(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 41052877) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide
PubChem CID41052877
Molecular FormulaC22H24ClN3O2S
Molecular Weight429.97 g/mol
Exact Mass429.13
IUPAC Name(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide
SMILESCCCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C22H24ClN3O2S/c1-4-12-26-21(28)18-11-10-17(23)13-19(18)25-22(26)29-15(3)20(27)24-14(2)16-8-6-5-7-9-16/h5-11,13-15H,4,12H2,1-3H3,(H,24,27)/t14-,15-/m1/s1
InChIKeyZWRBRHABRAOLSA-HUUCEWRRSA-N
XLogP4.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide with MolForge

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Related Compounds

(2S)-2-[7-chloro-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]propanamide
CID 98491991
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2611286
N-(2-chloro-4-fluorophenyl)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 16510347
2-[7-chloro-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide
CID 46811396
2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2087664
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylpropanamide
CID 46622053
7-chloro-2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-propylquinazolin-4-one
CID 7359679
2-[7-chloro-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 43024010
N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16571538
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 16510330
(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 8000202
7-chloro-2-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanyl-3-propylquinazolin-4-one
CID 40811720

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide (CID 41052877) is (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide is CCCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is ZWRBRHABRAOLSA-HUUCEWRRSA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c1-4-12-26-21(28)18-11-10-17(23)13-19(18)25-22(26)29-15(3)20(27)24-14(2)16-8-6-5-7-9-16/h5-11,13-15H,4,12H2,1-3H3,(H,24,27)/t14-,15-/m1/s1.
What are the key properties of (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide?
(2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 429.97 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 41052877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).