N-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclopentylpropanamide

C16H18ClN3O2 — CID 17471712

IUPACN-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)Nn1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C16H18ClN3O2/c17-12-6-7-14-13(9-12)16(22)20(10-18-14)19-15(21)8-5-11-3-1-2-4-11/h6-7,9-11H,1-5,8H2,(H,19,21)
InChIKeySJMPNSFGECZNSC-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.09
Rot. Bonds4

About N-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclopentylpropanamide

N-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclopentylpropanamide (PubChem CID 17471712) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclopentylpropanamide
PubChem CID17471712
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)Nn1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C16H18ClN3O2/c17-12-6-7-14-13(9-12)16(22)20(10-18-14)19-15(21)8-5-11-3-1-2-4-11/h6-7,9-11H,1-5,8H2,(H,19,21)
InChIKeySJMPNSFGECZNSC-UHFFFAOYSA-N
XLogP3.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclopentylpropanamide?
The IUPAC name of N-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclopentylpropanamide (CID 17471712) is N-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclopentylpropanamide is O=C(CCC1CCCC1)Nn1cnc2ccc(Cl)cc2c1=O.
What is the InChIKey of N-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclopentylpropanamide?
The InChIKey is SJMPNSFGECZNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-12-6-7-14-13(9-12)16(22)20(10-18-14)19-15(21)8-5-11-3-1-2-4-11/h6-7,9-11H,1-5,8H2,(H,19,21).
What are the key properties of N-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclopentylpropanamide?
N-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclopentylpropanamide has a molecular weight of 319.79 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-oxoquinazolin-3-yl)-3-cyclopentylpropanamide is sourced from PubChem (CID 17471712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).