ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate

C19H17N3O3 — CID 165177435

IUPACethyl 4-(quinolin-6-ylcarbamoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccc3ncccc3c2)cc1
InChIInChI=1S/C19H17N3O3/c1-2-25-18(23)13-5-7-15(8-6-13)21-19(24)22-16-9-10-17-14(12-16)4-3-11-20-17/h3-12H,2H2,1H3,(H2,21,22,24)
InChIKeyITJFGMZSNVRUNQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.06
Rot. Bonds4

About ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate

ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate (PubChem CID 165177435) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(quinolin-6-ylcarbamoylamino)benzoate
PubChem CID165177435
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Nameethyl 4-(quinolin-6-ylcarbamoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccc3ncccc3c2)cc1
InChIInChI=1S/C19H17N3O3/c1-2-25-18(23)13-5-7-15(8-6-13)21-19(24)22-16-9-10-17-14(12-16)4-3-11-20-17/h3-12H,2H2,1H3,(H2,21,22,24)
InChIKeyITJFGMZSNVRUNQ-UHFFFAOYSA-N
XLogP4.06
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
2-amino-2-ethyl-N-quinolin-6-ylbutanamide
CID 79814610
N-(4-ethoxy-3-methylphenyl)quinoline-6-carboxamide
CID 86874562
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea
CID 67835168
ethyl 2-(quinolin-6-ylamino)-1,3-thiazole-4-carboxylate
CID 80568988
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 4-[[4-(dimethylamino)phenyl]carbamoylamino]benzoate
CID 108894702
ethyl 4-[(4-bromo-3-methylphenyl)carbamoylamino]benzoate
CID 46859887
2-amino-2-methyl-N-quinolin-6-ylbutanamide
CID 79811443

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate?
The IUPAC name of ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate (CID 165177435) is ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate.
What is the SMILES notation for ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate?
The canonical SMILES for ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate is CCOC(=O)c1ccc(NC(=O)Nc2ccc3ncccc3c2)cc1.
What is the InChIKey of ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate?
The InChIKey is ITJFGMZSNVRUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-2-25-18(23)13-5-7-15(8-6-13)21-19(24)22-16-9-10-17-14(12-16)4-3-11-20-17/h3-12H,2H2,1H3,(H2,21,22,24).
What are the key properties of ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate?
ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate has a molecular weight of 335.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate is sourced from PubChem (CID 165177435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).