[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C23H21ClN2O2 — CID 90504521

IUPAC[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C23H21ClN2O2/c1-15-4-9-19-17(13-15)3-2-12-26(19)22(27)23(10-11-23)21-14-20(28-25-21)16-5-7-18(24)8-6-16/h4-9,13-14H,2-3,10-12H2,1H3
InChIKeyIVDUJMOUGHZJIJ-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.31
Rot. Bonds3

About [1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 90504521) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is [1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID90504521
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C23H21ClN2O2/c1-15-4-9-19-17(13-15)3-2-12-26(19)22(27)23(10-11-23)21-14-20(28-25-21)16-5-7-18(24)8-6-16/h4-9,13-14H,2-3,10-12H2,1H3
InChIKeyIVDUJMOUGHZJIJ-UHFFFAOYSA-N
XLogP5.31
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 90503029
azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90504286
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N,N-dimethylcyclopropane-1-carboxamide
CID 90504280
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-methylcyclopropane-1-carboxamide
CID 90504315
(1-aminocyclobutyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81178918
N-(3-chloro-4-methylphenyl)-1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504433
1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]cyclobutane-1-carboxylic acid
CID 102543853
1-[4-[4-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]phenyl]ethanone
CID 90504480
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2,6-dimethylphenyl)cyclopropane-1-carboxamide
CID 90504424
(3-aminooxolan-3-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 64892898
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)cyclopropane-1-carboxamide
CID 90504523

Frequently Asked Questions

What is the IUPAC name of [1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 90504521) is [1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)C1(c2cc(-c3ccc(Cl)cc3)on2)CC1.
What is the InChIKey of [1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is IVDUJMOUGHZJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-15-4-9-19-17(13-15)3-2-12-26(19)22(27)23(10-11-23)21-14-20(28-25-21)16-5-7-18(24)8-6-16/h4-9,13-14H,2-3,10-12H2,1H3.
What are the key properties of [1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 392.89 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 90504521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).