N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide

C21H22N2O3 — CID 16835050

IUPACN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)C1CCCO1
InChIInChI=1S/C21H22N2O3/c24-20(19-9-5-13-26-19)22-17-11-10-15-8-4-12-23(18(15)14-17)21(25)16-6-2-1-3-7-16/h1-3,6-7,10-11,14,19H,4-5,8-9,12-13H2,(H,22,24)
InChIKeyNJQKVJQGTYRWTP-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.40
Rot. Bonds3

About N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide

N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide (PubChem CID 16835050) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide
PubChem CID16835050
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)C1CCCO1
InChIInChI=1S/C21H22N2O3/c24-20(19-9-5-13-26-19)22-17-11-10-15-8-4-12-23(18(15)14-17)21(25)16-6-2-1-3-7-16/h1-3,6-7,10-11,14,19H,4-5,8-9,12-13H2,(H,22,24)
InChIKeyNJQKVJQGTYRWTP-UHFFFAOYSA-N
XLogP3.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]oxolane-2-carboxamide
CID 42344151
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea
CID 30372487
(2S)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]oxolane-2-carboxamide
CID 1246029
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
N-phenyloxolane-2-carboxamide
CID 3453643
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
CID 27557595
(2R)-N-(1,2,3,4-tetrahydroquinolin-7-yl)oxolane-2-carboxamide
CID 104856288
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(3-methoxyphenyl)urea
CID 30372497
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide
CID 16835048

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide?
The IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide (CID 16835050) is N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide is O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)C1CCCO1.
What is the InChIKey of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide?
The InChIKey is NJQKVJQGTYRWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20(19-9-5-13-26-19)22-17-11-10-15-8-4-12-23(18(15)14-17)21(25)16-6-2-1-3-7-16/h1-3,6-7,10-11,14,19H,4-5,8-9,12-13H2,(H,22,24).
What are the key properties of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide?
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide is sourced from PubChem (CID 16835050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).