2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine

C15H19ClN4 — CID 62545795

IUPAC2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine
SMILESCN1CCCC(N(C)c2nc(Cl)nc3ccccc23)C1
InChIInChI=1S/C15H19ClN4/c1-19-9-5-6-11(10-19)20(2)14-12-7-3-4-8-13(12)17-15(16)18-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyPUQPAFQXLZRMTQ-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.81
Rot. Bonds2

About 2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine

2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine (PubChem CID 62545795) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine
PubChem CID62545795
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine
SMILESCN1CCCC(N(C)c2nc(Cl)nc3ccccc23)C1
InChIInChI=1S/C15H19ClN4/c1-19-9-5-6-11(10-19)20(2)14-12-7-3-4-8-13(12)17-15(16)18-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyPUQPAFQXLZRMTQ-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine
CID 62476819
3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
CID 81036366
2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine
CID 62475651
N-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzoxazol-2-amine
CID 69368653
N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)quinolin-4-amine
CID 174963727
2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylquinazolin-4-amine
CID 62476660
4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid
CID 62406915
3-(2-aminoethyl)-N-methyl-N-(1-methylpiperidin-3-yl)imidazo[1,2-a]pyridin-2-amine
CID 63782587
2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine
CID 55081167
2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine
CID 62477526
N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 64587065
6-hydrazinyl-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 80919138

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine (CID 62545795) is 2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine is CN1CCCC(N(C)c2nc(Cl)nc3ccccc23)C1.
What is the InChIKey of 2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine?
The InChIKey is PUQPAFQXLZRMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-19-9-5-6-11(10-19)20(2)14-12-7-3-4-8-13(12)17-15(16)18-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine?
2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine has a molecular weight of 290.80 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine is sourced from PubChem (CID 62545795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).