(3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

C30H26N4O3 — CID 167951550

IUPAC(3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESCc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1
InChIInChI=1S/C30H26N4O3/c1-18-9-11-19(12-10-18)15-20-13-14-24-27(23-7-2-3-8-25(23)34-28(20)24)30(37)33-22-6-4-5-21(16-22)29(36)32-17-26(31)35/h2-12,15-16H,13-14,17H2,1H3,(H2,31,35)(H,32,36)(H,33,37)/b20-15+
InChIKeyIEDKTNFDTLUCAB-HMMYKYKNSA-N
MW490.56 g/mol
LogP4.50
Rot. Bonds6

About (3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide

(3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (PubChem CID 167951550) has the molecular formula C30H26N4O3 and a molecular weight of 490.56 g/mol. Its IUPAC name is (3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name(3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
PubChem CID167951550
Molecular FormulaC30H26N4O3
Molecular Weight490.56 g/mol
Exact Mass490.20
IUPAC Name(3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
SMILESCc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1
InChIInChI=1S/C30H26N4O3/c1-18-9-11-19(12-10-18)15-20-13-14-24-27(23-7-2-3-8-25(23)34-28(20)24)30(37)33-22-6-4-5-21(16-22)29(36)32-17-26(31)35/h2-12,15-16H,13-14,17H2,1H3,(H2,31,35)(H,32,36)(H,33,37)/b20-15+
InChIKeyIEDKTNFDTLUCAB-HMMYKYKNSA-N
XLogP4.50
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3E)-N-[3-(carbamoylamino)phenyl]-3-[(4-methoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 55552990
(3E)-3-benzylidene-N-pyridin-4-yl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 39954016
3-benzylidene-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 55961878
(3E)-3-benzylidene-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 55617082
[(2R)-1-amino-1-oxopropan-2-yl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 7458995
N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide
CID 36561953
(3E)-3-[(4-hydroxyphenyl)methylidene]-N-[2-(2-oxobut-3-enylcarbamoyl)phenyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 164909767
(3Z)-3-benzylidene-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 166197072
1-cyanoethyl (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 18276534
(4Z)-2-ethyl-4-[[3-[(4-methylbenzoyl)amino]phenyl]methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 92935901
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6522843
(2-morpholin-4-yl-2-oxoethyl) (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 6515861

Frequently Asked Questions

What is the IUPAC name of (3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of (3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide (CID 167951550) is (3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for (3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for (3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1.
What is the InChIKey of (3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
The InChIKey is IEDKTNFDTLUCAB-HMMYKYKNSA-N. The full InChI is InChI=1S/C30H26N4O3/c1-18-9-11-19(12-10-18)15-20-13-14-24-27(23-7-2-3-8-25(23)34-28(20)24)30(37)33-22-6-4-5-21(16-22)29(36)32-17-26(31)35/h2-12,15-16H,13-14,17H2,1H3,(H2,31,35)(H,32,36)(H,33,37)/b20-15+.
What are the key properties of (3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide?
(3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 4.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 167951550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).