(2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide

C17H14BrN3OS — CID 7363906

IUPAC(2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide
SMILESC[C@@H](Sc1nc(-c2ccc(Br)cc2)nc2ccccc12)C(N)=O
InChIInChI=1S/C17H14BrN3OS/c1-10(15(19)22)23-17-13-4-2-3-5-14(13)20-16(21-17)11-6-8-12(18)9-7-11/h2-10H,1H3,(H2,19,22)/t10-/m1/s1
InChIKeyFERSHHHJFCGVJG-SNVBAGLBSA-N
MW388.29 g/mol
LogP4.03
Rot. Bonds4

About (2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide

(2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide (PubChem CID 7363906) has the molecular formula C17H14BrN3OS and a molecular weight of 388.29 g/mol. Its IUPAC name is (2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide
PubChem CID7363906
Molecular FormulaC17H14BrN3OS
Molecular Weight388.29 g/mol
Exact Mass387.00
IUPAC Name(2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide
SMILESC[C@@H](Sc1nc(-c2ccc(Br)cc2)nc2ccccc12)C(N)=O
InChIInChI=1S/C17H14BrN3OS/c1-10(15(19)22)23-17-13-4-2-3-5-14(13)20-16(21-17)11-6-8-12(18)9-7-11/h2-10H,1H3,(H2,19,22)/t10-/m1/s1
InChIKeyFERSHHHJFCGVJG-SNVBAGLBSA-N
XLogP4.03
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide
CID 17444347
2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine
CID 869819
2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanyl-N-(3-methoxypropyl)acetamide
CID 41193420
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
5-[[2-(4-bromophenyl)quinazolin-4-yl]sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
CID 17480601
(2S)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid
CID 39787773
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 7427800
4-(4-bromophenyl)quinoline-2-carboxamide
CID 71566349
(2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid
CID 9118406
(2S)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylpropanoic acid
CID 9118404
2-[2-[(dimethylamino)methyl]quinazolin-4-yl]sulfanylpropanoic acid
CID 21004046
2-(4-bromophenyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid
CID 16776763

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide?
The IUPAC name of (2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide (CID 7363906) is (2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide is C[C@@H](Sc1nc(-c2ccc(Br)cc2)nc2ccccc12)C(N)=O.
What is the InChIKey of (2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide?
The InChIKey is FERSHHHJFCGVJG-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H14BrN3OS/c1-10(15(19)22)23-17-13-4-2-3-5-14(13)20-16(21-17)11-6-8-12(18)9-7-11/h2-10H,1H3,(H2,19,22)/t10-/m1/s1.
What are the key properties of (2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide?
(2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide has a molecular weight of 388.29 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-bromophenyl)quinazolin-4-yl]sulfanylpropanamide is sourced from PubChem (CID 7363906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).