(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine

C15H18ClN3 — CID 81492580

IUPAC(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1c(Cl)c(CN2CC[C@H](N)C2)nc2ccccc12
InChIInChI=1S/C15H18ClN3/c1-10-12-4-2-3-5-13(12)18-14(15(10)16)9-19-7-6-11(17)8-19/h2-5,11H,6-9,17H2,1H3/t11-/m0/s1
InChIKeyFOHKDZCYBYHKPX-NSHDSACASA-N
MW275.78 g/mol
LogP2.73
Rot. Bonds2

About (3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine

(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 81492580) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is (3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine
PubChem CID81492580
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1c(Cl)c(CN2CC[C@H](N)C2)nc2ccccc12
InChIInChI=1S/C15H18ClN3/c1-10-12-4-2-3-5-13(12)18-14(15(10)16)9-19-7-6-11(17)8-19/h2-5,11H,6-9,17H2,1H3/t11-/m0/s1
InChIKeyFOHKDZCYBYHKPX-NSHDSACASA-N
XLogP2.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-4-methylquinolin-2-yl)methyl]azetidin-3-amine
CID 65250174
3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride
CID 119924677
(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]piperidine-3-carboxylic acid
CID 124694319
tert-butyl N-[[1-[(3-chloro-4-methylquinolin-2-yl)methyl]piperidin-3-yl]methyl]carbamate
CID 60587914
[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 18129591
1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine
CID 79234789
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine
CID 94889758
(3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine
CID 113282469
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771
(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
CID 68962287
(3R,4R)-4-amino-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol
CID 70786002
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine (CID 81492580) is (3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine is Cc1c(Cl)c(CN2CC[C@H](N)C2)nc2ccccc12.
What is the InChIKey of (3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is FOHKDZCYBYHKPX-NSHDSACASA-N. The full InChI is InChI=1S/C15H18ClN3/c1-10-12-4-2-3-5-13(12)18-14(15(10)16)9-19-7-6-11(17)8-19/h2-5,11H,6-9,17H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine?
(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 275.78 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 81492580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).