7-cyclohexa-1,5-dien-1-yl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide

C25H24N2O — CID 70854150

IUPAC7-cyclohexa-1,5-dien-1-yl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccnc2cc(C3=CCCC=C3)ccc12
InChIInChI=1S/C25H24N2O/c1-17(2)20-10-6-7-11-23(20)27-25(28)22-14-15-26-24-16-19(12-13-21(22)24)18-8-4-3-5-9-18/h4,6-17H,3,5H2,1-2H3,(H,27,28)
InChIKeyYDGPDVZSRBTCGP-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.34
Rot. Bonds4

About 7-cyclohexa-1,5-dien-1-yl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide

7-cyclohexa-1,5-dien-1-yl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide (PubChem CID 70854150) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 7-cyclohexa-1,5-dien-1-yl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-cyclohexa-1,5-dien-1-yl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
PubChem CID70854150
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name7-cyclohexa-1,5-dien-1-yl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccnc2cc(C3=CCCC=C3)ccc12
InChIInChI=1S/C25H24N2O/c1-17(2)20-10-6-7-11-23(20)27-25(28)22-14-15-26-24-16-19(12-13-21(22)24)18-8-4-3-5-9-18/h4,6-17H,3,5H2,1-2H3,(H,27,28)
InChIKeyYDGPDVZSRBTCGP-UHFFFAOYSA-N
XLogP6.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 110858100
7-phenyl-N-(2-propan-2-ylphenyl)-5,6-dihydroquinoline-4-carboxamide
CID 70854200
5-amino-2-methyl-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 61039486
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900
2-(4-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314007
N-(2-phenylphenyl)quinoline-4-carboxamide
CID 142724043
2-methoxy-3-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 17101838
N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110858108
2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 966223
2,5-dihydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 103891803
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 1350696
2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109303969

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexa-1,5-dien-1-yl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide?
The IUPAC name of 7-cyclohexa-1,5-dien-1-yl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide (CID 70854150) is 7-cyclohexa-1,5-dien-1-yl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 7-cyclohexa-1,5-dien-1-yl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 7-cyclohexa-1,5-dien-1-yl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide is CC(C)c1ccccc1NC(=O)c1ccnc2cc(C3=CCCC=C3)ccc12.
What is the InChIKey of 7-cyclohexa-1,5-dien-1-yl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide?
The InChIKey is YDGPDVZSRBTCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-17(2)20-10-6-7-11-23(20)27-25(28)22-14-15-26-24-16-19(12-13-21(22)24)18-8-4-3-5-9-18/h4,6-17H,3,5H2,1-2H3,(H,27,28).
What are the key properties of 7-cyclohexa-1,5-dien-1-yl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide?
7-cyclohexa-1,5-dien-1-yl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexa-1,5-dien-1-yl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 70854150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).