10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one

C24H21ClN2O3 — CID 10454840

IUPAC10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESO=C(c1cc(-c2ccccc2)c(=O)n2c1-c1cc(Cl)ccc1CC2)N1CCC(O)C1
InChIInChI=1S/C24H21ClN2O3/c25-17-7-6-16-8-11-27-22(19(16)12-17)21(23(29)26-10-9-18(28)14-26)13-20(24(27)30)15-4-2-1-3-5-15/h1-7,12-13,18,28H,8-11,14H2
InChIKeyASOBQUGZPVVXJT-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.60
Rot. Bonds2

About 10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one

10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one (PubChem CID 10454840) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
PubChem CID10454840
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Name10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESO=C(c1cc(-c2ccccc2)c(=O)n2c1-c1cc(Cl)ccc1CC2)N1CCC(O)C1
InChIInChI=1S/C24H21ClN2O3/c25-17-7-6-16-8-11-27-22(19(16)12-17)21(23(29)26-10-9-18(28)14-26)13-20(24(27)30)15-4-2-1-3-5-15/h1-7,12-13,18,28H,8-11,14H2
InChIKeyASOBQUGZPVVXJT-UHFFFAOYSA-N
XLogP3.60
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10-chloro-1-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14770149
10-chloro-1-(4-methoxypiperidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14770142
10-chloro-1-(2,6-dimethylmorpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14666722
10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14666721
1-(4-methylpiperazine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one;hydrochloride
CID 19020491
(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl acetate
CID 14770154
(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918777
10-(2,6-dimethylmorpholine-4-carbonyl)-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 14666690
2-(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
CID 139644037
(4-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916566
(4-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029566
3-[(10-chloro-4-oxo-3-phenyl-6,7-dihydrobenzo[a]quinolizin-1-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 70352329

Frequently Asked Questions

What is the IUPAC name of 10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The IUPAC name of 10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one (CID 10454840) is 10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one is O=C(c1cc(-c2ccccc2)c(=O)n2c1-c1cc(Cl)ccc1CC2)N1CCC(O)C1.
What is the InChIKey of 10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The InChIKey is ASOBQUGZPVVXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c25-17-7-6-16-8-11-27-22(19(16)12-17)21(23(29)26-10-9-18(28)14-26)13-20(24(27)30)15-4-2-1-3-5-15/h1-7,12-13,18,28H,8-11,14H2.
What are the key properties of 10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one has a molecular weight of 420.90 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-1-(3-hydroxypyrrolidine-1-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 10454840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).