(3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine

C15H19N3O — CID 66954288

IUPAC(3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine
SMILESCN[C@H]1CCN(c2ccnc3ccc(OC)cc23)C1
InChIInChI=1S/C15H19N3O/c1-16-11-6-8-18(10-11)15-5-7-17-14-4-3-12(19-2)9-13(14)15/h3-5,7,9,11,16H,6,8,10H2,1-2H3/t11-/m0/s1
InChIKeyUNVGYEPLRVHRHB-NSHDSACASA-N
MW257.34 g/mol
LogP2.04
Rot. Bonds3

About (3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine

(3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine (PubChem CID 66954288) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine
PubChem CID66954288
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine
SMILESCN[C@H]1CCN(c2ccnc3ccc(OC)cc23)C1
InChIInChI=1S/C15H19N3O/c1-16-11-6-8-18(10-11)15-5-7-17-14-4-3-12(19-2)9-13(14)15/h3-5,7,9,11,16H,6,8,10H2,1-2H3/t11-/m0/s1
InChIKeyUNVGYEPLRVHRHB-NSHDSACASA-N
XLogP2.04
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(6-chloroquinolin-4-yl)piperidin-4-yl]-3-(4-methoxyphenyl)thiourea
CID 25030083
5-[[[1-(6-methoxyquinolin-4-yl)pyrrolidin-3-yl]amino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66954550
1-(6-methoxyquinolin-4-yl)-N-(4-pyrrol-1-ylphenyl)piperidine-3-carboxamide
CID 91952291
7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline
CID 166187818
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide
CID 91952299
4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline
CID 154575981
2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126926740
6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline
CID 126894256
6-methoxy-4-(1-methylpyrrolidin-3-yl)oxyquinoline
CID 126953937
2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]ethanol
CID 177345975
1-[1-[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945708
1-(2,5-dimethoxyphenyl)-N-methylpiperidin-4-amine
CID 43315071

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine (CID 66954288) is (3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine is CN[C@H]1CCN(c2ccnc3ccc(OC)cc23)C1.
What is the InChIKey of (3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine?
The InChIKey is UNVGYEPLRVHRHB-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-11-6-8-18(10-11)15-5-7-17-14-4-3-12(19-2)9-13(14)15/h3-5,7,9,11,16H,6,8,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine?
(3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine has a molecular weight of 257.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 66954288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).