3-(2-chlorophenyl)-2-[(2R)-pent-4-en-2-yl]quinazolin-4-one

C19H17ClN2O — CID 177485515

IUPAC3-(2-chlorophenyl)-2-[(2R)-pent-4-en-2-yl]quinazolin-4-one
SMILESC=CC[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C19H17ClN2O/c1-3-8-13(2)18-21-16-11-6-4-9-14(16)19(23)22(18)17-12-7-5-10-15(17)20/h3-7,9-13H,1,8H2,2H3/t13-/m1/s1
InChIKeyVBSFCNCMDRBYMP-CYBMUJFWSA-N
MW324.81 g/mol
LogP4.72
Rot. Bonds4

About 3-(2-chlorophenyl)-2-[(2R)-pent-4-en-2-yl]quinazolin-4-one

3-(2-chlorophenyl)-2-[(2R)-pent-4-en-2-yl]quinazolin-4-one (PubChem CID 177485515) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-[(2R)-pent-4-en-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-[(2R)-pent-4-en-2-yl]quinazolin-4-one
PubChem CID177485515
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name3-(2-chlorophenyl)-2-[(2R)-pent-4-en-2-yl]quinazolin-4-one
SMILESC=CC[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1Cl
InChIInChI=1S/C19H17ClN2O/c1-3-8-13(2)18-21-16-11-6-4-9-14(16)19(23)22(18)17-12-7-5-10-15(17)20/h3-7,9-13H,1,8H2,2H3/t13-/m1/s1
InChIKeyVBSFCNCMDRBYMP-CYBMUJFWSA-N
XLogP4.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium
CID 6961786
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]acetaldehyde
CID 22990475
N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 42719639
N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide
CID 42719916
2-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 42721552
2-chloro-N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 42719928
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 42719659
N-[(2S)-butan-2-yl]-2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2696305
3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one
CID 802442
3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 2902132
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylbenzamide
CID 42721056
(2R)-2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 2615492

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-[(2R)-pent-4-en-2-yl]quinazolin-4-one?
The IUPAC name of 3-(2-chlorophenyl)-2-[(2R)-pent-4-en-2-yl]quinazolin-4-one (CID 177485515) is 3-(2-chlorophenyl)-2-[(2R)-pent-4-en-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-2-[(2R)-pent-4-en-2-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-2-[(2R)-pent-4-en-2-yl]quinazolin-4-one is C=CC[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-2-[(2R)-pent-4-en-2-yl]quinazolin-4-one?
The InChIKey is VBSFCNCMDRBYMP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-3-8-13(2)18-21-16-11-6-4-9-14(16)19(23)22(18)17-12-7-5-10-15(17)20/h3-7,9-13H,1,8H2,2H3/t13-/m1/s1.
What are the key properties of 3-(2-chlorophenyl)-2-[(2R)-pent-4-en-2-yl]quinazolin-4-one?
3-(2-chlorophenyl)-2-[(2R)-pent-4-en-2-yl]quinazolin-4-one has a molecular weight of 324.81 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-[(2R)-pent-4-en-2-yl]quinazolin-4-one is sourced from PubChem (CID 177485515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).