Quinoline derivative 3

C25H23N3O2 — CID 89554768

IUPAC4-(4-methoxyphenyl)-7-(1-pyridin-3-ylpropan-2-yl)quinoline-2-carboxamide
SMILESCC(CC1=CN=CC=C1)C2=CC3=C(C=C2)C(=CC(=N3)C(=O)N)C4=CC=C(C=C4)OC
InChIInChI=1S/C25H23N3O2/c1-16(12-17-4-3-11-27-15-17)19-7-10-21-22(18-5-8-20(30-2)9-6-18)14-24(25(26)29)28-23(21)13-19/h3-11,13-16H,12H2,1-2H3,(H2,26,29)
InChIKeySLSRIELIUCLTJB-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.50
Rot. Bonds6

About Quinoline derivative 3

Quinoline derivative 3 (PubChem CID 89554768) has the molecular formula C25H23N3O2 and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-7-(1-pyridin-3-ylpropan-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameQuinoline derivative 3
PubChem CID89554768
Molecular FormulaC25H23N3O2
Molecular Weight397.50 g/mol
Exact Mass397.18
IUPAC Name4-(4-methoxyphenyl)-7-(1-pyridin-3-ylpropan-2-yl)quinoline-2-carboxamide
SMILESCC(CC1=CN=CC=C1)C2=CC3=C(C=C2)C(=CC(=N3)C(=O)N)C4=CC=C(C=C4)OC
InChIInChI=1S/C25H23N3O2/c1-16(12-17-4-3-11-27-15-17)19-7-10-21-22(18-5-8-20(30-2)9-6-18)14-24(25(26)29)28-23(21)13-19/h3-11,13-16H,12H2,1-2H3,(H2,26,29)
InChIKeySLSRIELIUCLTJB-UHFFFAOYSA-N
XLogP4.50
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity563

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Viquidil
CID 65753
3-(4-Methoxyphenyl)quinoxaline-5-carboxamide
CID 9965481
Piperazine, 4-benzoyl-1-[1,2-dioxo-2-(6-methoxy-2-quinolinyl)ethyl]-2-methyl-
CID 5280289
4-(4-methoxyphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436114
4-methoxy-N-quinolin-6-ylbenzamide
CID 1506499
2-methoxy-N-quinolin-8-ylbenzamide
CID 836519
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
5-Methoxy-9H-quinolino[4,3,2-de][1,10]phenanthrolin-9-one
CID 388732
2-(4-Ethoxyphenyl)-4-[(4-methylpiperazin-1-yl)carbonyl]quinoline
CID 1540951
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 10895039
N-[2-[(2S)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164616722
N-[2-[(2S)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164624962

Frequently Asked Questions

What is the IUPAC name of Quinoline derivative 3?
The IUPAC name of Quinoline derivative 3 (CID 89554768) is 4-(4-methoxyphenyl)-7-(1-pyridin-3-ylpropan-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for Quinoline derivative 3?
The canonical SMILES for Quinoline derivative 3 is CC(CC1=CN=CC=C1)C2=CC3=C(C=C2)C(=CC(=N3)C(=O)N)C4=CC=C(C=C4)OC.
What is the InChIKey of Quinoline derivative 3?
The InChIKey is SLSRIELIUCLTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-16(12-17-4-3-11-27-15-17)19-7-10-21-22(18-5-8-20(30-2)9-6-18)14-24(25(26)29)28-23(21)13-19/h3-11,13-16H,12H2,1-2H3,(H2,26,29).
What are the key properties of Quinoline derivative 3?
Quinoline derivative 3 has a molecular weight of 397.50 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Quinoline derivative 3 is sourced from PubChem (CID 89554768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).