1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde

C17H19ClN2O — CID 62654035

IUPAC1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde
SMILESCc1ccc2cc(CN3CCCC(C=O)C3)c(Cl)nc2c1
InChIInChI=1S/C17H19ClN2O/c1-12-4-5-14-8-15(17(18)19-16(14)7-12)10-20-6-2-3-13(9-20)11-21/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3
InChIKeyAHDSMHGJQDRZTL-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.61
Rot. Bonds3

About 1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde

1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde (PubChem CID 62654035) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde
PubChem CID62654035
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde
SMILESCc1ccc2cc(CN3CCCC(C=O)C3)c(Cl)nc2c1
InChIInChI=1S/C17H19ClN2O/c1-12-4-5-14-8-15(17(18)19-16(14)7-12)10-20-6-2-3-13(9-20)11-21/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3
InChIKeyAHDSMHGJQDRZTL-UHFFFAOYSA-N
XLogP3.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol
CID 60661917
(3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine
CID 81491962
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine
CID 79874159
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol
CID 115874196
[4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 51923514
1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde
CID 62654379
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine
CID 79994339
ethyl (3R)-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]piperidine-3-carboxylate
CID 26201452
1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 63902353
1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carbaldehyde
CID 62655496
(3R)-1-benzylpiperidine-3-carbaldehyde
CID 86316318
1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one
CID 90985840

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde?
The IUPAC name of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde (CID 62654035) is 1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde.
What is the SMILES notation for 1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde?
The canonical SMILES for 1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde is Cc1ccc2cc(CN3CCCC(C=O)C3)c(Cl)nc2c1.
What is the InChIKey of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde?
The InChIKey is AHDSMHGJQDRZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-4-5-14-8-15(17(18)19-16(14)7-12)10-20-6-2-3-13(9-20)11-21/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3.
What are the key properties of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde?
1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde has a molecular weight of 302.81 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde is sourced from PubChem (CID 62654035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).