(3,4-dichlorophenyl)-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)methanone

C20H18Cl2N2O — CID 67902850

IUPAC(3,4-dichlorophenyl)-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CC=Cc2cccc(N3CCCC3)c21
InChIInChI=1S/C20H18Cl2N2O/c21-16-9-8-15(13-17(16)22)20(25)24-12-4-6-14-5-3-7-18(19(14)24)23-10-1-2-11-23/h3-9,13H,1-2,10-12H2
InChIKeyKZFZOBPKTOBPTQ-UHFFFAOYSA-N
MW373.28 g/mol
LogP5.27
Rot. Bonds2

About (3,4-dichlorophenyl)-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)methanone

(3,4-dichlorophenyl)-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)methanone (PubChem CID 67902850) has the molecular formula C20H18Cl2N2O and a molecular weight of 373.28 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)methanone
PubChem CID67902850
Molecular FormulaC20H18Cl2N2O
Molecular Weight373.28 g/mol
Exact Mass372.08
IUPAC Name(3,4-dichlorophenyl)-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CC=Cc2cccc(N3CCCC3)c21
InChIInChI=1S/C20H18Cl2N2O/c21-16-9-8-15(13-17(16)22)20(25)24-12-4-6-14-5-3-7-18(19(14)24)23-10-1-2-11-23/h3-9,13H,1-2,10-12H2
InChIKeyKZFZOBPKTOBPTQ-UHFFFAOYSA-N
XLogP5.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.28
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone
CID 67902968
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
4-(azocan-1-yl)-3-chlorobenzoic acid
CID 63088316
3-chloro-4-piperidin-1-ylbenzoic acid
CID 18956231
4-chloro-3-pyrrolidin-1-ylbenzoic acid
CID 7148434
(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 131917647
4-chloro-3-piperidin-1-ylbenzoic acid
CID 7148438
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
(3,4-dichlorophenyl)-(2-pyrrolidin-1-yl-3H-inden-1-yl)methanone
CID 5083003
3,4-dichloro-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]benzamide
CID 4030604
(3,4-dichlorophenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 91813767
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)methanone (CID 67902850) is (3,4-dichlorophenyl)-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CC=Cc2cccc(N3CCCC3)c21.
What is the InChIKey of (3,4-dichlorophenyl)-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)methanone?
The InChIKey is KZFZOBPKTOBPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O/c21-16-9-8-15(13-17(16)22)20(25)24-12-4-6-14-5-3-7-18(19(14)24)23-10-1-2-11-23/h3-9,13H,1-2,10-12H2.
What are the key properties of (3,4-dichlorophenyl)-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)methanone?
(3,4-dichlorophenyl)-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)methanone has a molecular weight of 373.28 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 67902850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).