quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate

C25H22N2O3 — CID 69033100

IUPACquinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate
SMILESO=C(Nc1ccc(OCCCc2ccccc2)cc1)Oc1cccc2cccnc12
InChIInChI=1S/C25H22N2O3/c28-25(30-23-12-4-10-20-11-5-17-26-24(20)23)27-21-13-15-22(16-14-21)29-18-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-17H,6,9,18H2,(H,27,28)
InChIKeyYEZSUXBNHZJQAR-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.86
Rot. Bonds7

About quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate

quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate (PubChem CID 69033100) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate.

Molecular Properties

Compound Namequinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate
PubChem CID69033100
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Namequinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate
SMILESO=C(Nc1ccc(OCCCc2ccccc2)cc1)Oc1cccc2cccnc12
InChIInChI=1S/C25H22N2O3/c28-25(30-23-12-4-10-20-11-5-17-26-24(20)23)27-21-13-15-22(16-14-21)29-18-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-17H,6,9,18H2,(H,27,28)
InChIKeyYEZSUXBNHZJQAR-UHFFFAOYSA-N
XLogP5.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

quinolin-8-yl N-(4-pentoxyphenyl)carbamate
CID 69031420
quinolin-8-yl N-(4-nonoxyphenyl)carbamate
CID 69032746
quinolin-8-yl N-(4-decoxyphenyl)carbamate
CID 69033339
quinolin-8-yl N-(4-ethoxyphenyl)carbamate
CID 3434150
quinolin-8-yl N-(3,4-dichlorophenyl)carbamate
CID 3623243
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114
1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea
CID 108992618
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130159
3-phenylpropyl N-(4-methoxyphenyl)carbamate
CID 102129676
4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid
CID 166181923
2-(2,3-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130266

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate?
The IUPAC name of quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate (CID 69033100) is quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate.
What is the SMILES notation for quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate?
The canonical SMILES for quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate is O=C(Nc1ccc(OCCCc2ccccc2)cc1)Oc1cccc2cccnc12.
What is the InChIKey of quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate?
The InChIKey is YEZSUXBNHZJQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c28-25(30-23-12-4-10-20-11-5-17-26-24(20)23)27-21-13-15-22(16-14-21)29-18-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-17H,6,9,18H2,(H,27,28).
What are the key properties of quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate?
quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate has a molecular weight of 398.46 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate is sourced from PubChem (CID 69033100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).