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

C15H19ClN4 — CID 62475651

IUPAC2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine
SMILESCN1CCCC(CNc2nc(Cl)nc3ccccc23)C1
InChIInChI=1S/C15H19ClN4/c1-20-8-4-5-11(10-20)9-17-14-12-6-2-3-7-13(12)18-15(16)19-14/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,18,19)
InChIKeyUHAXTFNJUYQWDQ-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.04
Rot. Bonds3

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

2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine (PubChem CID 62475651) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine
PubChem CID62475651
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine
SMILESCN1CCCC(CNc2nc(Cl)nc3ccccc23)C1
InChIInChI=1S/C15H19ClN4/c1-20-8-4-5-11(10-20)9-17-14-12-6-2-3-7-13(12)18-15(16)19-14/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,18,19)
InChIKeyUHAXTFNJUYQWDQ-UHFFFAOYSA-N
XLogP3.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine
CID 62477691
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine
CID 106028358
4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
CID 80789448
2-chloro-N-(1-methylpyrrolidin-3-yl)quinazolin-4-amine
CID 62477526
2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 79632916
3,6-dichloro-N-[(1-methylpiperidin-3-yl)methyl]-1,2,4-triazin-5-amine
CID 81035942
N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-2-methylquinazolin-4-amine
CID 171359305
3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 102750847
2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 12703170
6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 81132211
2-chloro-N-methyl-N-(1-methylpiperidin-3-yl)quinazolin-4-amine
CID 62545795
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine?
The IUPAC name of 2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine (CID 62475651) is 2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine is CN1CCCC(CNc2nc(Cl)nc3ccccc23)C1.
What is the InChIKey of 2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine?
The InChIKey is UHAXTFNJUYQWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-20-8-4-5-11(10-20)9-17-14-12-6-2-3-7-13(12)18-15(16)19-14/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,18,19).
What are the key properties of 2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine?
2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine has a molecular weight of 290.80 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylpiperidin-3-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 62475651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).