2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide

C13H15ClN4O — CID 42961075

IUPAC2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1ncnc2cc(Cl)ccc12)C(=O)N(C)C
InChIInChI=1S/C13H15ClN4O/c1-8(13(19)18(2)3)17-12-10-5-4-9(14)6-11(10)15-7-16-12/h4-8H,1-3H3,(H,15,16,17)
InChIKeyIHZSQBPBTROQDV-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.17
Rot. Bonds3

About 2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide

2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 42961075) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID42961075
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1ncnc2cc(Cl)ccc12)C(=O)N(C)C
InChIInChI=1S/C13H15ClN4O/c1-8(13(19)18(2)3)17-12-10-5-4-9(14)6-11(10)15-7-16-12/h4-8H,1-3H3,(H,15,16,17)
InChIKeyIHZSQBPBTROQDV-UHFFFAOYSA-N
XLogP2.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide (CID 42961075) is 2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide is CC(Nc1ncnc2cc(Cl)ccc12)C(=O)N(C)C.
What is the InChIKey of 2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is IHZSQBPBTROQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-8(13(19)18(2)3)17-12-10-5-4-9(14)6-11(10)15-7-16-12/h4-8H,1-3H3,(H,15,16,17).
What are the key properties of 2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide?
2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 278.74 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 42961075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).