N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylquinazolin-4-amine

C17H14ClN5 — CID 166382066

IUPACN-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylquinazolin-4-amine
SMILESCc1nc(NCc2nc3ccccn3c2Cl)c2ccccc2n1
InChIInChI=1S/C17H14ClN5/c1-11-20-13-7-3-2-6-12(13)17(21-11)19-10-14-16(18)23-9-5-4-8-15(23)22-14/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyKXTSDZDQVSVGLL-UHFFFAOYSA-N
MW323.79 g/mol
LogP3.85
Rot. Bonds3

About N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylquinazolin-4-amine

N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylquinazolin-4-amine (PubChem CID 166382066) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylquinazolin-4-amine
PubChem CID166382066
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC NameN-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylquinazolin-4-amine
SMILESCc1nc(NCc2nc3ccccn3c2Cl)c2ccccc2n1
InChIInChI=1S/C17H14ClN5/c1-11-20-13-7-3-2-6-12(13)17(21-11)19-10-14-16(18)23-9-5-4-8-15(23)22-14/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyKXTSDZDQVSVGLL-UHFFFAOYSA-N
XLogP3.85
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine chloride
CID 53346777
2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine
CID 59589453
N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine
CID 69221219
N-[(2-ethoxyphenyl)methyl]-2-methylquinazolin-4-amine
CID 68649031
N-(2-methylquinazolin-4-yl)acetamide
CID 13329017
4-N-[(2-methylquinazolin-4-yl)methyl]benzene-1,4-diamine
CID 67336726
2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357955
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine
CID 106405358
3-[[[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]benzamide
CID 90806896
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine
CID 55080452
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridin-3-amine
CID 63619289

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylquinazolin-4-amine?
The IUPAC name of N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylquinazolin-4-amine (CID 166382066) is N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylquinazolin-4-amine.
What is the SMILES notation for N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylquinazolin-4-amine?
The canonical SMILES for N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylquinazolin-4-amine is Cc1nc(NCc2nc3ccccn3c2Cl)c2ccccc2n1.
What is the InChIKey of N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylquinazolin-4-amine?
The InChIKey is KXTSDZDQVSVGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5/c1-11-20-13-7-3-2-6-12(13)17(21-11)19-10-14-16(18)23-9-5-4-8-15(23)22-14/h2-9H,10H2,1H3,(H,19,20,21).
What are the key properties of N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylquinazolin-4-amine?
N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylquinazolin-4-amine has a molecular weight of 323.79 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylquinazolin-4-amine is sourced from PubChem (CID 166382066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).