N-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine

C20H22ClN3 — CID 71933334

IUPACN-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
SMILESCC(C)C(c1cccnc1)N(C)Cc1ccc(Cl)c2cccnc12
InChIInChI=1S/C20H22ClN3/c1-14(2)20(15-6-4-10-22-12-15)24(3)13-16-8-9-18(21)17-7-5-11-23-19(16)17/h4-12,14,20H,13H2,1-3H3
InChIKeyRGZGDNHIXGMJLR-UHFFFAOYSA-N
MW339.87 g/mol
LogP5.11
Rot. Bonds5

About N-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine

N-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine (PubChem CID 71933334) has the molecular formula C20H22ClN3 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
PubChem CID71933334
Molecular FormulaC20H22ClN3
Molecular Weight339.87 g/mol
Exact Mass339.15
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
SMILESCC(C)C(c1cccnc1)N(C)Cc1ccc(Cl)c2cccnc12
InChIInChI=1S/C20H22ClN3/c1-14(2)20(15-6-4-10-22-12-15)24(3)13-16-8-9-18(21)17-7-5-11-23-19(16)17/h4-12,14,20H,13H2,1-3H3
InChIKeyRGZGDNHIXGMJLR-UHFFFAOYSA-N
XLogP5.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.87
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(1-pyridin-3-ylethyl)quinolin-8-amine
CID 60927982
N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 77080069
(1R)-N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 99820131
N-[(5-chloroquinolin-8-yl)methyl]but-3-yn-2-amine
CID 114415420
N'-butan-2-yl-N-[(5-chloroquinolin-8-yl)methyl]-N'-methylethane-1,2-diamine
CID 103765844
(1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine
CID 130465955
2-[(5-chloroquinolin-8-yl)methyl-ethylamino]ethanol
CID 60509838
5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline
CID 38875747
5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline
CID 87016276
(1S)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 97079286
N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623813
N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine
CID 104979426

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine (CID 71933334) is N-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for N-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for N-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine is CC(C)C(c1cccnc1)N(C)Cc1ccc(Cl)c2cccnc12.
What is the InChIKey of N-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine?
The InChIKey is RGZGDNHIXGMJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3/c1-14(2)20(15-6-4-10-22-12-15)24(3)13-16-8-9-18(21)17-7-5-11-23-19(16)17/h4-12,14,20H,13H2,1-3H3.
What are the key properties of N-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine?
N-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine has a molecular weight of 339.87 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloroquinolin-8-yl)methyl]-N,2-dimethyl-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 71933334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).