N-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine

C16H19ClN2O — CID 3219489

IUPACN-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1cccc2cc(CNCC3CCCO3)c(Cl)nc12
InChIInChI=1S/C16H19ClN2O/c1-11-4-2-5-12-8-13(16(17)19-15(11)12)9-18-10-14-6-3-7-20-14/h2,4-5,8,14,18H,3,6-7,9-10H2,1H3
InChIKeyFDGBKQZAMYTEPR-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.47
Rot. Bonds4

About N-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 3219489) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID3219489
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1cccc2cc(CNCC3CCCO3)c(Cl)nc12
InChIInChI=1S/C16H19ClN2O/c1-11-4-2-5-12-8-13(16(17)19-15(11)12)9-18-10-14-6-3-7-20-14/h2,4-5,8,14,18H,3,6-7,9-10H2,1H3
InChIKeyFDGBKQZAMYTEPR-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863829
N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458212
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60984970
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 62515858
1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine
CID 104614221
N-[(2-bromo-4-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 81495268
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51990583
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990581
1-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 51685217
1-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 51685218

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 3219489) is N-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine is Cc1cccc2cc(CNCC3CCCO3)c(Cl)nc12.
What is the InChIKey of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is FDGBKQZAMYTEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11-4-2-5-12-8-13(16(17)19-15(11)12)9-18-10-14-6-3-7-20-14/h2,4-5,8,14,18H,3,6-7,9-10H2,1H3.
What are the key properties of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 290.79 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-8-methylquinolin-3-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 3219489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).