4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one

C15H13ClN4O — CID 166327131

IUPAC4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(CNc2nc(Cl)nc3ccccc23)cc(=O)[nH]1
InChIInChI=1S/C15H13ClN4O/c1-9-6-10(7-13(21)18-9)8-17-14-11-4-2-3-5-12(11)19-15(16)20-14/h2-7H,8H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyXMPKYYRLDNLADI-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.89
Rot. Bonds3

About 4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one

4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one (PubChem CID 166327131) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one
PubChem CID166327131
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(CNc2nc(Cl)nc3ccccc23)cc(=O)[nH]1
InChIInChI=1S/C15H13ClN4O/c1-9-6-10(7-13(21)18-9)8-17-14-11-4-2-3-5-12(11)19-15(16)20-14/h2-7H,8H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyXMPKYYRLDNLADI-UHFFFAOYSA-N
XLogP2.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one (CID 166327131) is 4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one is Cc1cc(CNc2nc(Cl)nc3ccccc23)cc(=O)[nH]1.
What is the InChIKey of 4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is XMPKYYRLDNLADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-9-6-10(7-13(21)18-9)8-17-14-11-4-2-3-5-12(11)19-15(16)20-14/h2-7H,8H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of 4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one?
4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 300.75 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-chloroquinazolin-4-yl)amino]methyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 166327131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).