1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone

C30H29N5O2 — CID 166199749

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCN(CC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C30H29N5O2/c36-29(35-15-7-9-22-8-1-4-13-28(22)35)21-33-16-18-34(19-17-33)30(37)24-20-27(26-12-5-6-14-31-26)32-25-11-3-2-10-23(24)25/h1-6,8,10-14,20H,7,9,15-19,21H2
InChIKeySQZIOZXLQRKJEM-UHFFFAOYSA-N
MW491.60 g/mol
LogP4.03
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 166199749) has the molecular formula C30H29N5O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID166199749
Molecular FormulaC30H29N5O2
Molecular Weight491.60 g/mol
Exact Mass491.23
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCN(CC(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C30H29N5O2/c36-29(35-15-7-9-22-8-1-4-13-28(22)35)21-33-16-18-34(19-17-33)30(37)24-20-27(26-12-5-6-14-31-26)32-25-11-3-2-10-23(24)25/h1-6,8,10-14,20H,7,9,15-19,21H2
InChIKeySQZIOZXLQRKJEM-UHFFFAOYSA-N
XLogP4.03
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 39036597
(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529
(4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 17430035
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride
CID 120646636
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]prop-2-en-1-one
CID 166406128
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 53156812
(4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone
CID 17126635
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119883288
4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 119883298

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone (CID 166199749) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone is O=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCN(CC(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is SQZIOZXLQRKJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O2/c36-29(35-15-7-9-22-8-1-4-13-28(22)35)21-33-16-18-34(19-17-33)30(37)24-20-27(26-12-5-6-14-31-26)32-25-11-3-2-10-23(24)25/h1-6,8,10-14,20H,7,9,15-19,21H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 491.60 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 166199749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).