3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide

C14H17ClN4O — CID 62477007

IUPAC3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C14H17ClN4O/c1-2-8-16-12(20)7-9-17-13-10-5-3-4-6-11(10)18-14(15)19-13/h3-6H,2,7-9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyPTEDTWXPRFFREY-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.61
Rot. Bonds6

About 3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide

3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide (PubChem CID 62477007) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide
PubChem CID62477007
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(Cl)nc2ccccc12
InChIInChI=1S/C14H17ClN4O/c1-2-8-16-12(20)7-9-17-13-10-5-3-4-6-11(10)18-14(15)19-13/h3-6H,2,7-9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyPTEDTWXPRFFREY-UHFFFAOYSA-N
XLogP2.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide (CID 62477007) is 3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1nc(Cl)nc2ccccc12.
What is the InChIKey of 3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide?
The InChIKey is PTEDTWXPRFFREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-2-8-16-12(20)7-9-17-13-10-5-3-4-6-11(10)18-14(15)19-13/h3-6H,2,7-9H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of 3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide?
3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide has a molecular weight of 292.77 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 62477007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).