[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone

C19H25N3O — CID 72900733

IUPAC[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone
SMILESCC(C)[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@H]1N(C)C
InChIInChI=1S/C19H25N3O/c1-13(2)16-11-22(12-18(16)21(3)4)19(23)15-7-8-17-14(10-15)6-5-9-20-17/h5-10,13,16,18H,11-12H2,1-4H3/t16-,18+/m0/s1
InChIKeyUNEJYRQZWOFCTR-FUHWJXTLSA-N
MW311.43 g/mol
LogP2.89
Rot. Bonds3

About [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone

[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 72900733) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone
PubChem CID72900733
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone
SMILESCC(C)[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@H]1N(C)C
InChIInChI=1S/C19H25N3O/c1-13(2)16-11-22(12-18(16)21(3)4)19(23)15-7-8-17-14(10-15)6-5-9-20-17/h5-10,13,16,18H,11-12H2,1-4H3/t16-,18+/m0/s1
InChIKeyUNEJYRQZWOFCTR-FUHWJXTLSA-N
XLogP2.89
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 72919853
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 72848895
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 72851131
[(3R,6S)-3-(dimethylamino)-6-(hydroxymethyl)azepan-1-yl]-quinolin-6-ylmethanone
CID 169410901
4-[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]benzonitrile
CID 72895460
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 72838310
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 72902347
5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid
CID 122117740
1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea
CID 72895371
[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 96574836

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone (CID 72900733) is [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone is CC(C)[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@H]1N(C)C.
What is the InChIKey of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is UNEJYRQZWOFCTR-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13(2)16-11-22(12-18(16)21(3)4)19(23)15-7-8-17-14(10-15)6-5-9-20-17/h5-10,13,16,18H,11-12H2,1-4H3/t16-,18+/m0/s1.
What are the key properties of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone?
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 311.43 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 72900733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).