7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine

C15H19ClN4O — CID 126467058

IUPAC7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine
SMILESCOC1CCCN(Cc2nc(N)c3ccc(Cl)cc3n2)C1
InChIInChI=1S/C15H19ClN4O/c1-21-11-3-2-6-20(8-11)9-14-18-13-7-10(16)4-5-12(13)15(17)19-14/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,17,18,19)
InChIKeyZYLVUJKPLIVEEE-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.48
Rot. Bonds3

About 7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine

7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine (PubChem CID 126467058) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine
PubChem CID126467058
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine
SMILESCOC1CCCN(Cc2nc(N)c3ccc(Cl)cc3n2)C1
InChIInChI=1S/C15H19ClN4O/c1-21-11-3-2-6-20(8-11)9-14-18-13-7-10(16)4-5-12(13)15(17)19-14/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,17,18,19)
InChIKeyZYLVUJKPLIVEEE-UHFFFAOYSA-N
XLogP2.48
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine
CID 102963805
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
2-[(3-methoxypiperidin-1-yl)methyl]-3H-benzimidazol-5-amine
CID 102956438
N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
CID 102956460
6-[(3-methoxypiperidin-1-yl)methyl]pyridin-3-amine
CID 102963724
5-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-2-amine
CID 103538581
1-[[6-chloro-4-(2-methoxyethylamino)quinazolin-2-yl]methyl]piperidine-3-carboxamide
CID 45233587
1-[(4-iodophenyl)methyl]-3-methoxypiperidine
CID 103713929
[4-[(4-amino-7-chloroquinazolin-2-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 118755332
2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine
CID 118943873
2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 102966751
6-[(3-methoxypiperidin-1-yl)methyl]-2-methylquinoline
CID 126778484

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine?
The IUPAC name of 7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine (CID 126467058) is 7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine is COC1CCCN(Cc2nc(N)c3ccc(Cl)cc3n2)C1.
What is the InChIKey of 7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine?
The InChIKey is ZYLVUJKPLIVEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-21-11-3-2-6-20(8-11)9-14-18-13-7-10(16)4-5-12(13)15(17)19-14/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,17,18,19).
What are the key properties of 7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine?
7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine has a molecular weight of 306.80 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(3-methoxypiperidin-1-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 126467058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).