[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone

C17H20N2O3 — CID 126438254

IUPAC[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone
SMILESCOc1ccc2c(C(=O)N3CC[C@H](CO)C3)cc(C)nc2c1
InChIInChI=1S/C17H20N2O3/c1-11-7-15(17(21)19-6-5-12(9-19)10-20)14-4-3-13(22-2)8-16(14)18-11/h3-4,7-8,12,20H,5-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyKRUMQRXNXVLJEK-LBPRGKRZSA-N
MW300.36 g/mol
LogP2.01
Rot. Bonds3

About [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone

[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone (PubChem CID 126438254) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone
PubChem CID126438254
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone
SMILESCOc1ccc2c(C(=O)N3CC[C@H](CO)C3)cc(C)nc2c1
InChIInChI=1S/C17H20N2O3/c1-11-7-15(17(21)19-6-5-12(9-19)10-20)14-4-3-13(22-2)8-16(14)18-11/h3-4,7-8,12,20H,5-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyKRUMQRXNXVLJEK-LBPRGKRZSA-N
XLogP2.01
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 119483302
(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 111459532
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 124590384
(2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422311
(2,4-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403188
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(2-hydroxy-5-methoxyphenyl)methanone
CID 115869602
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-methoxybenzoic acid
CID 115965839
(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide
CID 94512731

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone?
The IUPAC name of [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone (CID 126438254) is [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone?
The canonical SMILES for [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone is COc1ccc2c(C(=O)N3CC[C@H](CO)C3)cc(C)nc2c1.
What is the InChIKey of [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone?
The InChIKey is KRUMQRXNXVLJEK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-7-15(17(21)19-6-5-12(9-19)10-20)14-4-3-13(22-2)8-16(14)18-11/h3-4,7-8,12,20H,5-6,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone?
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 126438254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).