1-[3-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one

C24H27N3O2 — CID 71860135

IUPAC1-[3-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one
SMILESCC1(CCc2ccccc2)CCN(C(=O)CCn2ncc(=O)c3ccccc32)C1
InChIInChI=1S/C24H27N3O2/c1-24(13-11-19-7-3-2-4-8-19)14-16-26(18-24)23(29)12-15-27-21-10-6-5-9-20(21)22(28)17-25-27/h2-10,17H,11-16,18H2,1H3
InChIKeyCCHPODQKAXKOSO-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.66
Rot. Bonds6

About 1-[3-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one

1-[3-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one (PubChem CID 71860135) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[3-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[3-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one
PubChem CID71860135
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-[3-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one
SMILESCC1(CCc2ccccc2)CCN(C(=O)CCn2ncc(=O)c3ccccc32)C1
InChIInChI=1S/C24H27N3O2/c1-24(13-11-19-7-3-2-4-8-19)14-16-26(18-24)23(29)12-15-27-21-10-6-5-9-20(21)22(28)17-25-27/h2-10,17H,11-16,18H2,1H3
InChIKeyCCHPODQKAXKOSO-UHFFFAOYSA-N
XLogP3.66
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]cinnolin-4-one
CID 120815195
1-[(3R)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 96534653
4-(methylamino)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119811823
1-[3-(4-oxocinnolin-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 126776520
7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119811815
2-(4-aminophenyl)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811821
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
1-[3-[(2S)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 94637302
1-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 9489683
1-[3-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-oxopropyl]cinnolin-4-one
CID 94643325
2-(cyclopropylmethylamino)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811839
(2R)-2-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119339754

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one?
The IUPAC name of 1-[3-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one (CID 71860135) is 1-[3-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one.
What is the SMILES notation for 1-[3-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one?
The canonical SMILES for 1-[3-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one is CC1(CCc2ccccc2)CCN(C(=O)CCn2ncc(=O)c3ccccc32)C1.
What is the InChIKey of 1-[3-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one?
The InChIKey is CCHPODQKAXKOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-24(13-11-19-7-3-2-4-8-19)14-16-26(18-24)23(29)12-15-27-21-10-6-5-9-20(21)22(28)17-25-27/h2-10,17H,11-16,18H2,1H3.
What are the key properties of 1-[3-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one?
1-[3-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one has a molecular weight of 389.50 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-oxopropyl]cinnolin-4-one is sourced from PubChem (CID 71860135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).