[5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate

C23H18N4O3 — CID 71393726

IUPAC[5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Nc1ccc(OC(=O)Nc2ccccc2)c2ncccc12
InChIInChI=1S/C23H18N4O3/c28-22(25-16-8-3-1-4-9-16)27-19-13-14-20(21-18(19)12-7-15-24-21)30-23(29)26-17-10-5-2-6-11-17/h1-15H,(H,26,29)(H2,25,27,28)
InChIKeyPKHMDLHICWPLBU-UHFFFAOYSA-N
MW398.42 g/mol
LogP5.49
Rot. Bonds4

About [5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate

[5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate (PubChem CID 71393726) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is [5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate
PubChem CID71393726
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name[5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Nc1ccc(OC(=O)Nc2ccccc2)c2ncccc12
InChIInChI=1S/C23H18N4O3/c28-22(25-16-8-3-1-4-9-16)27-19-13-14-20(21-18(19)12-7-15-24-21)30-23(29)26-17-10-5-2-6-11-17/h1-15H,(H,26,29)(H2,25,27,28)
InChIKeyPKHMDLHICWPLBU-UHFFFAOYSA-N
XLogP5.49
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.42
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-2-yl N-phenylcarbamate
CID 4689975
N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide
CID 111537177
1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-phenylurea
CID 58396506
1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea
CID 110774594
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136
4-[(8-methoxyquinolin-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122078078
4-[[8-(2-methoxy-2-oxoethoxy)quinolin-5-yl]carbamoylamino]butanoic acid
CID 122087193
1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea
CID 51945829
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099
N-(8-methoxyquinolin-5-yl)-1-phenylcyclohexane-1-carboxamide
CID 100770558
quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate
CID 69033100
2-(5-nitroquinolin-8-yl)oxy-N-phenylacetamide
CID 23935853

Frequently Asked Questions

What is the IUPAC name of [5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate?
The IUPAC name of [5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate (CID 71393726) is [5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate.
What is the SMILES notation for [5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate?
The canonical SMILES for [5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate is O=C(Nc1ccccc1)Nc1ccc(OC(=O)Nc2ccccc2)c2ncccc12.
What is the InChIKey of [5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate?
The InChIKey is PKHMDLHICWPLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c28-22(25-16-8-3-1-4-9-16)27-19-13-14-20(21-18(19)12-7-15-24-21)30-23(29)26-17-10-5-2-6-11-17/h1-15H,(H,26,29)(H2,25,27,28).
What are the key properties of [5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate?
[5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate has a molecular weight of 398.42 g/mol, XLogP of 5.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate is sourced from PubChem (CID 71393726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).