N-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine

C18H18ClN3O — CID 18404158

IUPACN-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine
SMILESCc1c(OCCCl)ccnc1CNc1cnc2ccccc2c1
InChIInChI=1S/C18H18ClN3O/c1-13-17(20-8-6-18(13)23-9-7-19)12-21-15-10-14-4-2-3-5-16(14)22-11-15/h2-6,8,10-11,21H,7,9,12H2,1H3
InChIKeyKIJPDTBPOLKSQD-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.17
Rot. Bonds6

About N-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine

N-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine (PubChem CID 18404158) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is N-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine.

Molecular Properties

Compound NameN-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine
PubChem CID18404158
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC NameN-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine
SMILESCc1c(OCCCl)ccnc1CNc1cnc2ccccc2c1
InChIInChI=1S/C18H18ClN3O/c1-13-17(20-8-6-18(13)23-9-7-19)12-21-15-10-14-4-2-3-5-16(14)22-11-15/h2-6,8,10-11,21H,7,9,12H2,1H3
InChIKeyKIJPDTBPOLKSQD-UHFFFAOYSA-N
XLogP4.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-chlorobutylsulfanyl)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine
CID 18404202
N-[[3-methyl-4-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]ethoxy]-2-pyridinyl]methyl]quinolin-3-amine
CID 18404193
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine
CID 43691291
N-[(2-ethoxyphenyl)methyl]quinolin-3-amine
CID 43691162
N-[(4-ethylphenyl)methyl]quinolin-3-amine
CID 43691167
N-[[3-ethyl-4-[2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]ethoxy]-2-pyridinyl]methyl]quinolin-3-amine
CID 70219697
N-[[3-methyl-4-[3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propylsulfanyl]-2-pyridinyl]methyl]quinolin-3-amine
CID 18404210
2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine
CID 22460786
5-[3-[[3-methyl-2-[(quinolin-3-ylamino)methyl]-4-pyridinyl]sulfanyl]propylsulfanylmethyl]-3-propan-2-yl-1,3-oxazolidin-2-one
CID 18404203
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine
CID 63644523
N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
CID 114841721
N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine
CID 104877930

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine?
The IUPAC name of N-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine (CID 18404158) is N-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine.
What is the SMILES notation for N-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine?
The canonical SMILES for N-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine is Cc1c(OCCCl)ccnc1CNc1cnc2ccccc2c1.
What is the InChIKey of N-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine?
The InChIKey is KIJPDTBPOLKSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-13-17(20-8-6-18(13)23-9-7-19)12-21-15-10-14-4-2-3-5-16(14)22-11-15/h2-6,8,10-11,21H,7,9,12H2,1H3.
What are the key properties of N-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine?
N-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine has a molecular weight of 327.82 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine is sourced from PubChem (CID 18404158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).