(2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide

C24H23N3O2S — CID 8674923

IUPAC(2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
SMILESCCn1c(S[C@H](C)C(=O)NCc2ccccc2)nc2cc3ccccc3cc2c1=O
InChIInChI=1S/C24H23N3O2S/c1-3-27-23(29)20-13-18-11-7-8-12-19(18)14-21(20)26-24(27)30-16(2)22(28)25-15-17-9-5-4-6-10-17/h4-14,16H,3,15H2,1-2H3,(H,25,28)/t16-/m1/s1
InChIKeyHIGHQFCCPNALEH-MRXNPFEDSA-N
MW417.53 g/mol
LogP4.37
Rot. Bonds6

About (2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide

(2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide (PubChem CID 8674923) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
PubChem CID8674923
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name(2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
SMILESCCn1c(S[C@H](C)C(=O)NCc2ccccc2)nc2cc3ccccc3cc2c1=O
InChIInChI=1S/C24H23N3O2S/c1-3-27-23(29)20-13-18-11-7-8-12-19(18)14-21(20)26-24(27)30-16(2)22(28)25-15-17-9-5-4-6-10-17/h4-14,16H,3,15H2,1-2H3,(H,25,28)/t16-/m1/s1
InChIKeyHIGHQFCCPNALEH-MRXNPFEDSA-N
XLogP4.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
CID 8674922
(2R)-N-ethyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
CID 8836129
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 51234387
(2R)-N-cyclohexyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
CID 8674952
(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 40633499
(2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 37148615
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
CID 8674984
N-[(4-fluorophenyl)methyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 46618238
(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876016
N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18777264
(2S)-N-cyclopropyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876048
2-benzylsulfanyl-3-ethylbenzo[g]quinazolin-4-one
CID 8674808

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide (CID 8674923) is (2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide is CCn1c(S[C@H](C)C(=O)NCc2ccccc2)nc2cc3ccccc3cc2c1=O.
What is the InChIKey of (2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide?
The InChIKey is HIGHQFCCPNALEH-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-3-27-23(29)20-13-18-11-7-8-12-19(18)14-21(20)26-24(27)30-16(2)22(28)25-15-17-9-5-4-6-10-17/h4-14,16H,3,15H2,1-2H3,(H,25,28)/t16-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide?
(2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide has a molecular weight of 417.53 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 8674923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).