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

C24H22N2O3 — CID 10548204

IUPACN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1
InChIInChI=1S/C24H22N2O3/c1-29-21-9-4-7-19(16-21)23(27)25-20-13-11-18(12-14-20)24(28)26-15-5-8-17-6-2-3-10-22(17)26/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,25,27)
InChIKeyYCTXGSMQPJYSCO-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.54
Rot. Bonds4

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

N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-methoxybenzamide (PubChem CID 10548204) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-methoxybenzamide
PubChem CID10548204
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1
InChIInChI=1S/C24H22N2O3/c1-29-21-9-4-7-19(16-21)23(27)25-20-13-11-18(12-14-20)24(28)26-15-5-8-17-6-2-3-10-22(17)26/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,25,27)
InChIKeyYCTXGSMQPJYSCO-UHFFFAOYSA-N
XLogP4.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-methoxybenzamide (CID 10548204) is N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1.
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-methoxybenzamide?
The InChIKey is YCTXGSMQPJYSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-29-21-9-4-7-19(16-21)23(27)25-20-13-11-18(12-14-20)24(28)26-15-5-8-17-6-2-3-10-22(17)26/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,25,27).
What are the key properties of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-methoxybenzamide?
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-methoxybenzamide has a molecular weight of 386.45 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 10548204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).