[2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate

C22H22N2O4 — CID 7498545

IUPAC[2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1
InChIInChI=1S/C22H22N2O4/c1-14(25)28-20-7-3-2-6-18(20)21(26)23-17-10-11-19-16(13-17)5-4-12-24(19)22(27)15-8-9-15/h2-3,6-7,10-11,13,15H,4-5,8-9,12H2,1H3,(H,23,26)
InChIKeyBANCVRJTOFONMB-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.55
Rot. Bonds4

About [2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate

[2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate (PubChem CID 7498545) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate
PubChem CID7498545
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1
InChIInChI=1S/C22H22N2O4/c1-14(25)28-20-7-3-2-6-18(20)21(26)23-17-10-11-19-16(13-17)5-4-12-24(19)22(27)15-8-9-15/h2-3,6-7,10-11,13,15H,4-5,8-9,12H2,1H3,(H,23,26)
InChIKeyBANCVRJTOFONMB-UHFFFAOYSA-N
XLogP3.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate
CID 7686963
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
CID 7656487
[2-[[3-[(2-acetyloxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]phenyl] acetate;hydrochloride
CID 21398332
[2-[[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl] acetate
CID 7687744
2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498683
N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide
CID 7657185
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110623201
2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657890
[2-[(4-iodophenyl)carbamoyl]phenyl] acetate
CID 3361929
1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737681
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide
CID 110623188
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide
CID 16943471

Frequently Asked Questions

What is the IUPAC name of [2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate?
The IUPAC name of [2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate (CID 7498545) is [2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate?
The canonical SMILES for [2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1.
What is the InChIKey of [2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate?
The InChIKey is BANCVRJTOFONMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14(25)28-20-7-3-2-6-18(20)21(26)23-17-10-11-19-16(13-17)5-4-12-24(19)22(27)15-8-9-15/h2-3,6-7,10-11,13,15H,4-5,8-9,12H2,1H3,(H,23,26).
What are the key properties of [2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate?
[2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate has a molecular weight of 378.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 7498545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).