ethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate

C19H27N3O3 — CID 122147219

IUPACethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(Nc2ccc3c(c2)N(C(N)=O)CCC3)CC1
InChIInChI=1S/C19H27N3O3/c1-2-25-18(23)14-6-8-15(9-7-14)21-16-10-5-13-4-3-11-22(19(20)24)17(13)12-16/h5,10,12,14-15,21H,2-4,6-9,11H2,1H3,(H2,20,24)
InChIKeyNZSKBAWFKFDGRT-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.05
Rot. Bonds4

About ethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate

ethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate (PubChem CID 122147219) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is ethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate
PubChem CID122147219
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nameethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(Nc2ccc3c(c2)N(C(N)=O)CCC3)CC1
InChIInChI=1S/C19H27N3O3/c1-2-25-18(23)14-6-8-15(9-7-14)21-16-10-5-13-4-3-11-22(19(20)24)17(13)12-16/h5,10,12,14-15,21H,2-4,6-9,11H2,1H3,(H2,20,24)
InChIKeyNZSKBAWFKFDGRT-UHFFFAOYSA-N
XLogP3.05
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

4-[(1-carbamoyl-2,3-dihydroindol-6-yl)amino]cyclohexane-1-carboxylic acid
CID 122033630
7-(5-oxaspiro[3.4]octan-7-ylamino)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 138053201
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)cyclopropanecarboxamide
CID 40829046
ethyl 4-(pyridin-4-ylamino)cyclohexane-1-carboxylate
CID 115149176
ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate
CID 112506230
ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 62265682
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
7-[1-(2-methoxyphenyl)propan-2-ylamino]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 122147225
cis-ethyl (1S,3R)-3-[4-[(Z)-N'-hydroxycarbamimidoyl]anilino]cyclopentane-1-carboxylate
CID 58404401
cis-ethyl (1S,3R)-3-[4-(N'-hydroxycarbamimidoyl)anilino]cyclopentane-1-carboxylate
CID 123817835
1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide
CID 7586451
ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
CID 60933460

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate (CID 122147219) is ethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(Nc2ccc3c(c2)N(C(N)=O)CCC3)CC1.
What is the InChIKey of ethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate?
The InChIKey is NZSKBAWFKFDGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-25-18(23)14-6-8-15(9-7-14)21-16-10-5-13-4-3-11-22(19(20)24)17(13)12-16/h5,10,12,14-15,21H,2-4,6-9,11H2,1H3,(H2,20,24).
What are the key properties of ethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate?
ethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-carbamoyl-3,4-dihydro-2H-quinolin-7-yl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 122147219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).