4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinazolin-2-amine

C14H14ClN5 — CID 138991022

IUPAC4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinazolin-2-amine
SMILESCN(Cc1nccn1C)c1nc(Cl)c2ccccc2n1
InChIInChI=1S/C14H14ClN5/c1-19-8-7-16-12(19)9-20(2)14-17-11-6-4-3-5-10(11)13(15)18-14/h3-8H,9H2,1-2H3
InChIKeyYORFFCDSKWGPRM-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.65
Rot. Bonds3

About 4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinazolin-2-amine

4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinazolin-2-amine (PubChem CID 138991022) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinazolin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinazolin-2-amine
PubChem CID138991022
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Name4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinazolin-2-amine
SMILESCN(Cc1nccn1C)c1nc(Cl)c2ccccc2n1
InChIInChI=1S/C14H14ClN5/c1-19-8-7-16-12(19)9-20(2)14-17-11-6-4-3-5-10(11)13(15)18-14/h3-8H,9H2,1-2H3
InChIKeyYORFFCDSKWGPRM-UHFFFAOYSA-N
XLogP2.65
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinazolin-2-amine?
The IUPAC name of 4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinazolin-2-amine (CID 138991022) is 4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinazolin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinazolin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinazolin-2-amine is CN(Cc1nccn1C)c1nc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinazolin-2-amine?
The InChIKey is YORFFCDSKWGPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-19-8-7-16-12(19)9-20(2)14-17-11-6-4-3-5-10(11)13(15)18-14/h3-8H,9H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinazolin-2-amine?
4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinazolin-2-amine has a molecular weight of 287.75 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinazolin-2-amine is sourced from PubChem (CID 138991022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).