(2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine

C18H19ClN2OS — CID 125179839

IUPAC(2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine
SMILESCOC[C@@H](C)NCc1cc2ccc(Cl)cc2nc1-c1ccsc1
InChIInChI=1S/C18H19ClN2OS/c1-12(10-22-2)20-9-15-7-13-3-4-16(19)8-17(13)21-18(15)14-5-6-23-11-14/h3-8,11-12,20H,9-10H2,1-2H3/t12-/m1/s1
InChIKeyNKOHOTLLBOCZBZ-GFCCVEGCSA-N
MW346.88 g/mol
LogP4.74
Rot. Bonds6

About (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine

(2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine (PubChem CID 125179839) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine
PubChem CID125179839
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name(2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine
SMILESCOC[C@@H](C)NCc1cc2ccc(Cl)cc2nc1-c1ccsc1
InChIInChI=1S/C18H19ClN2OS/c1-12(10-22-2)20-9-15-7-13-3-4-16(19)8-17(13)21-18(15)14-5-6-23-11-14/h3-8,11-12,20H,9-10H2,1-2H3/t12-/m1/s1
InChIKeyNKOHOTLLBOCZBZ-GFCCVEGCSA-N
XLogP4.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine
CID 56856636
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]cyclopropanamine
CID 25292365
N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 43410849
4-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]piperazin-2-one
CID 70715408
N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 42167773
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 31016911
1-[[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 56856883
N-[2-(4-chlorophenyl)ethyl]-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanesulfonamide
CID 24969871
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 29085678
7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 45172315
2-(cyclohexen-1-yl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine
CID 26347940
N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 65316175

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine (CID 125179839) is (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine is COC[C@@H](C)NCc1cc2ccc(Cl)cc2nc1-c1ccsc1.
What is the InChIKey of (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine?
The InChIKey is NKOHOTLLBOCZBZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c1-12(10-22-2)20-9-15-7-13-3-4-16(19)8-17(13)21-18(15)14-5-6-23-11-14/h3-8,11-12,20H,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine?
(2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine has a molecular weight of 346.88 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 125179839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).