5-(quinolin-8-ylamino)pentylcarbamic acid

C15H19N3O2 — CID 126720717

IUPAC5-(quinolin-8-ylamino)pentylcarbamic acid
SMILESO=C(O)NCCCCCNc1cccc2cccnc12
InChIInChI=1S/C15H19N3O2/c19-15(20)18-10-3-1-2-9-16-13-8-4-6-12-7-5-11-17-14(12)13/h4-8,11,16,18H,1-3,9-10H2,(H,19,20)
InChIKeyICZPTDYIAZHSKJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.08
Rot. Bonds7

About 5-(quinolin-8-ylamino)pentylcarbamic acid

5-(quinolin-8-ylamino)pentylcarbamic acid (PubChem CID 126720717) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(quinolin-8-ylamino)pentylcarbamic acid.

Molecular Properties

Compound Name5-(quinolin-8-ylamino)pentylcarbamic acid
PubChem CID126720717
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-(quinolin-8-ylamino)pentylcarbamic acid
SMILESO=C(O)NCCCCCNc1cccc2cccnc12
InChIInChI=1S/C15H19N3O2/c19-15(20)18-10-3-1-2-9-16-13-8-4-6-12-7-5-11-17-14(12)13/h4-8,11,16,18H,1-3,9-10H2,(H,19,20)
InChIKeyICZPTDYIAZHSKJ-UHFFFAOYSA-N
XLogP3.08
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-heptylquinolin-8-amine
CID 43130175
2-methyl-5-(quinolin-8-ylamino)pentan-2-ol
CID 118731137
N-(3,3-dimethylbutyl)quinolin-8-amine
CID 62965994
tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate
CID 51217671
1-propyl-3-quinolin-8-ylurea
CID 13078451
N-(2-bromophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010779
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008069
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
carbamoyl 2-(quinolin-8-ylamino)acetate
CID 139238226
2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846784
1-[3-(4-tert-butylphenoxy)propyl]-3-quinolin-8-ylurea
CID 108882910

Frequently Asked Questions

What is the IUPAC name of 5-(quinolin-8-ylamino)pentylcarbamic acid?
The IUPAC name of 5-(quinolin-8-ylamino)pentylcarbamic acid (CID 126720717) is 5-(quinolin-8-ylamino)pentylcarbamic acid.
What is the SMILES notation for 5-(quinolin-8-ylamino)pentylcarbamic acid?
The canonical SMILES for 5-(quinolin-8-ylamino)pentylcarbamic acid is O=C(O)NCCCCCNc1cccc2cccnc12.
What is the InChIKey of 5-(quinolin-8-ylamino)pentylcarbamic acid?
The InChIKey is ICZPTDYIAZHSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-15(20)18-10-3-1-2-9-16-13-8-4-6-12-7-5-11-17-14(12)13/h4-8,11,16,18H,1-3,9-10H2,(H,19,20).
What are the key properties of 5-(quinolin-8-ylamino)pentylcarbamic acid?
5-(quinolin-8-ylamino)pentylcarbamic acid has a molecular weight of 273.34 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(quinolin-8-ylamino)pentylcarbamic acid is sourced from PubChem (CID 126720717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).