N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-[(Z)-1-(5-methylcyclohepta-1,4,6-trien-1-yl)prop-1-enyl]acetamide

C27H30N2O2 — CID 142396979

IUPACN-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-[(Z)-1-(5-methylcyclohepta-1,4,6-trien-1-yl)prop-1-enyl]acetamide
SMILESC/C=C(/C1=CCC=C(C)C=C1)N(C(C)=O)c1ccc2c(c1)c(C1CC1)cc(=O)n2CC
InChIInChI=1S/C27H30N2O2/c1-5-25(21-9-7-8-18(3)10-11-21)29(19(4)30)22-14-15-26-24(16-22)23(20-12-13-20)17-27(31)28(26)6-2/h5,8-11,14-17,20H,6-7,12-13H2,1-4H3/b25-5-
InChIKeyFBQZKESGCKAXQM-FISMNSNESA-N
MW414.55 g/mol
LogP5.99
Rot. Bonds5

About N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-[(Z)-1-(5-methylcyclohepta-1,4,6-trien-1-yl)prop-1-enyl]acetamide

N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-[(Z)-1-(5-methylcyclohepta-1,4,6-trien-1-yl)prop-1-enyl]acetamide (PubChem CID 142396979) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-[(Z)-1-(5-methylcyclohepta-1,4,6-trien-1-yl)prop-1-enyl]acetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-[(Z)-1-(5-methylcyclohepta-1,4,6-trien-1-yl)prop-1-enyl]acetamide
PubChem CID142396979
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC NameN-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-[(Z)-1-(5-methylcyclohepta-1,4,6-trien-1-yl)prop-1-enyl]acetamide
SMILESC/C=C(/C1=CCC=C(C)C=C1)N(C(C)=O)c1ccc2c(c1)c(C1CC1)cc(=O)n2CC
InChIInChI=1S/C27H30N2O2/c1-5-25(21-9-7-8-18(3)10-11-21)29(19(4)30)22-14-15-26-24(16-22)23(20-12-13-20)17-27(31)28(26)6-2/h5,8-11,14-17,20H,6-7,12-13H2,1-4H3/b25-5-
InChIKeyFBQZKESGCKAXQM-FISMNSNESA-N
XLogP5.99
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-[(Z)-1-(5-methylcyclohepta-1,4,6-trien-1-yl)prop-1-enyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide
CID 134537531
4-cyclopropyl-1-ethyl-6-methylquinolin-2-one;ethane
CID 145235316
4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide
CID 134537268
2-amino-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methyl-4-propan-2-ylbenzamide
CID 134537390
2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide
CID 134537501
N-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide
CID 134537306
N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide
CID 134537515
4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide
CID 134537543
N-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide
CID 134547621
1-ethyl-N-(3-fluoro-4-methylphenyl)-N-methyl-4-(1-methylpiperidin-4-yl)-2-oxoquinoline-6-carboxamide
CID 134537330
1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide
CID 146952436
N-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide
CID 134537587

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-[(Z)-1-(5-methylcyclohepta-1,4,6-trien-1-yl)prop-1-enyl]acetamide?
The IUPAC name of N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-[(Z)-1-(5-methylcyclohepta-1,4,6-trien-1-yl)prop-1-enyl]acetamide (CID 142396979) is N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-[(Z)-1-(5-methylcyclohepta-1,4,6-trien-1-yl)prop-1-enyl]acetamide.
What is the SMILES notation for N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-[(Z)-1-(5-methylcyclohepta-1,4,6-trien-1-yl)prop-1-enyl]acetamide?
The canonical SMILES for N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-[(Z)-1-(5-methylcyclohepta-1,4,6-trien-1-yl)prop-1-enyl]acetamide is C/C=C(/C1=CCC=C(C)C=C1)N(C(C)=O)c1ccc2c(c1)c(C1CC1)cc(=O)n2CC.
What is the InChIKey of N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-[(Z)-1-(5-methylcyclohepta-1,4,6-trien-1-yl)prop-1-enyl]acetamide?
The InChIKey is FBQZKESGCKAXQM-FISMNSNESA-N. The full InChI is InChI=1S/C27H30N2O2/c1-5-25(21-9-7-8-18(3)10-11-21)29(19(4)30)22-14-15-26-24(16-22)23(20-12-13-20)17-27(31)28(26)6-2/h5,8-11,14-17,20H,6-7,12-13H2,1-4H3/b25-5-.
What are the key properties of N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-[(Z)-1-(5-methylcyclohepta-1,4,6-trien-1-yl)prop-1-enyl]acetamide?
N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-[(Z)-1-(5-methylcyclohepta-1,4,6-trien-1-yl)prop-1-enyl]acetamide has a molecular weight of 414.55 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-[(Z)-1-(5-methylcyclohepta-1,4,6-trien-1-yl)prop-1-enyl]acetamide is sourced from PubChem (CID 142396979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).