(3S,4R)-4-cyclopropyl-1-(7-methoxy-4-methylquinolin-2-yl)pyrrolidin-3-amine

C18H23N3O — CID 133130921

IUPAC(3S,4R)-4-cyclopropyl-1-(7-methoxy-4-methylquinolin-2-yl)pyrrolidin-3-amine
SMILESCOc1ccc2c(C)cc(N3C[C@@H](N)[C@H](C4CC4)C3)nc2c1
InChIInChI=1S/C18H23N3O/c1-11-7-18(20-17-8-13(22-2)5-6-14(11)17)21-9-15(12-3-4-12)16(19)10-21/h5-8,12,15-16H,3-4,9-10,19H2,1-2H3/t15-,16+/m0/s1
InChIKeyNYOGUFSRGNDEDJ-JKSUJKDBSA-N
MW297.40 g/mol
LogP2.73
Rot. Bonds3

About (3S,4R)-4-cyclopropyl-1-(7-methoxy-4-methylquinolin-2-yl)pyrrolidin-3-amine

(3S,4R)-4-cyclopropyl-1-(7-methoxy-4-methylquinolin-2-yl)pyrrolidin-3-amine (PubChem CID 133130921) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (3S,4R)-4-cyclopropyl-1-(7-methoxy-4-methylquinolin-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-cyclopropyl-1-(7-methoxy-4-methylquinolin-2-yl)pyrrolidin-3-amine
PubChem CID133130921
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(3S,4R)-4-cyclopropyl-1-(7-methoxy-4-methylquinolin-2-yl)pyrrolidin-3-amine
SMILESCOc1ccc2c(C)cc(N3C[C@@H](N)[C@H](C4CC4)C3)nc2c1
InChIInChI=1S/C18H23N3O/c1-11-7-18(20-17-8-13(22-2)5-6-14(11)17)21-9-15(12-3-4-12)16(19)10-21/h5-8,12,15-16H,3-4,9-10,19H2,1-2H3/t15-,16+/m0/s1
InChIKeyNYOGUFSRGNDEDJ-JKSUJKDBSA-N
XLogP2.73
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-4-cyclopropyl-1-(7-methoxy-4-methylquinolin-2-yl)pyrrolidin-3-amine with MolForge

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Related Compounds

2-[(3R,3aS,6aS)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-7-methoxy-4-methylquinoline;dihydrochloride
CID 171330223
1-(7-methoxy-4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 172900595
1-(7-methoxy-4-methylquinolin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171691583
7-methoxy-4-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237212
[1-(7-methoxy-4-methylquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163354868
7-methoxy-4-methylquinolin-2-amine
CID 53485904
2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline
CID 3683269
(3S,4S)-3-(cyclopropylmethyl)-4-hydroxy-1-(7-methoxy-4-methylquinolin-2-yl)piperidine-3-carboxylic acid
CID 137340252
(3R,4S)-4-cyclopropyl-1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 72865929
N-[1-(7-methoxy-4-methylquinolin-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172903824
(1S,5R,6R)-3-(4-methyl-7-methylsulfanylquinolin-2-yl)-3-azabicyclo[3.2.0]heptan-6-ol
CID 138385961
3-(7-methoxy-4-methylquinolin-2-yl)-2-methylpropan-1-amine
CID 82576819

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-cyclopropyl-1-(7-methoxy-4-methylquinolin-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-cyclopropyl-1-(7-methoxy-4-methylquinolin-2-yl)pyrrolidin-3-amine (CID 133130921) is (3S,4R)-4-cyclopropyl-1-(7-methoxy-4-methylquinolin-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-cyclopropyl-1-(7-methoxy-4-methylquinolin-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-cyclopropyl-1-(7-methoxy-4-methylquinolin-2-yl)pyrrolidin-3-amine is COc1ccc2c(C)cc(N3C[C@@H](N)[C@H](C4CC4)C3)nc2c1.
What is the InChIKey of (3S,4R)-4-cyclopropyl-1-(7-methoxy-4-methylquinolin-2-yl)pyrrolidin-3-amine?
The InChIKey is NYOGUFSRGNDEDJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H23N3O/c1-11-7-18(20-17-8-13(22-2)5-6-14(11)17)21-9-15(12-3-4-12)16(19)10-21/h5-8,12,15-16H,3-4,9-10,19H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (3S,4R)-4-cyclopropyl-1-(7-methoxy-4-methylquinolin-2-yl)pyrrolidin-3-amine?
(3S,4R)-4-cyclopropyl-1-(7-methoxy-4-methylquinolin-2-yl)pyrrolidin-3-amine has a molecular weight of 297.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-cyclopropyl-1-(7-methoxy-4-methylquinolin-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 133130921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).