N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,4-dimethylbenzamide

C25H24N2O2 — CID 10667727

IUPACN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c(C)c1
InChIInChI=1S/C25H24N2O2/c1-17-9-14-22(18(2)16-17)24(28)26-21-12-10-20(11-13-21)25(29)27-15-5-7-19-6-3-4-8-23(19)27/h3-4,6,8-14,16H,5,7,15H2,1-2H3,(H,26,28)
InChIKeyBTQSMXQASOGCKJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.15
Rot. Bonds3

About N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,4-dimethylbenzamide

N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,4-dimethylbenzamide (PubChem CID 10667727) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,4-dimethylbenzamide
PubChem CID10667727
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c(C)c1
InChIInChI=1S/C25H24N2O2/c1-17-9-14-22(18(2)16-17)24(28)26-21-12-10-20(11-13-21)25(29)27-15-5-7-19-6-3-4-8-23(19)27/h3-4,6,8-14,16H,5,7,15H2,1-2H3,(H,26,28)
InChIKeyBTQSMXQASOGCKJ-UHFFFAOYSA-N
XLogP5.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Amonafide
CID 50515
6(5H)-Phenanthridinone
CID 1853
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Mozavaptan
CID 119369
2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
4-(N-methyl-2-phenylethylamino)-1-(3,5-dimethyl-4-propionylaminobenzoyl)piperidine
CID 219020
PJ-34
CID 4858
YM 471
CID 9810140
T-226296
CID 9865843
Solvent Yellow 44
CID 75589
4-Amino-N-phenyl-1,8-naphthalimide
CID 202512
1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(2-(diethylamino)ethyl)-
CID 328773

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,4-dimethylbenzamide (CID 10667727) is N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c(C)c1.
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,4-dimethylbenzamide?
The InChIKey is BTQSMXQASOGCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-17-9-14-22(18(2)16-17)24(28)26-21-12-10-20(11-13-21)25(29)27-15-5-7-19-6-3-4-8-23(19)27/h3-4,6,8-14,16H,5,7,15H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,4-dimethylbenzamide?
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,4-dimethylbenzamide has a molecular weight of 384.48 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 10667727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).