N-(4-chloroquinolin-3-yl)formamide

C10H7ClN2O — CID 86227468

IUPACN-(4-chloroquinolin-3-yl)formamide
SMILESO=CNc1cnc2ccccc2c1Cl
InChIInChI=1S/C10H7ClN2O/c11-10-7-3-1-2-4-8(7)12-5-9(10)13-6-14/h1-6H,(H,13,14)
InChIKeySLSHTWGIKUFRSY-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.46
Rot. Bonds2

About N-(4-chloroquinolin-3-yl)formamide

N-(4-chloroquinolin-3-yl)formamide (PubChem CID 86227468) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is N-(4-chloroquinolin-3-yl)formamide.

Molecular Properties

Compound NameN-(4-chloroquinolin-3-yl)formamide
PubChem CID86227468
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC NameN-(4-chloroquinolin-3-yl)formamide
SMILESO=CNc1cnc2ccccc2c1Cl
InChIInChI=1S/C10H7ClN2O/c11-10-7-3-1-2-4-8(7)12-5-9(10)13-6-14/h1-6H,(H,13,14)
InChIKeySLSHTWGIKUFRSY-UHFFFAOYSA-N
XLogP2.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloroquinolin-3-yl)formamide?
The IUPAC name of N-(4-chloroquinolin-3-yl)formamide (CID 86227468) is N-(4-chloroquinolin-3-yl)formamide.
What is the SMILES notation for N-(4-chloroquinolin-3-yl)formamide?
The canonical SMILES for N-(4-chloroquinolin-3-yl)formamide is O=CNc1cnc2ccccc2c1Cl.
What is the InChIKey of N-(4-chloroquinolin-3-yl)formamide?
The InChIKey is SLSHTWGIKUFRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-10-7-3-1-2-4-8(7)12-5-9(10)13-6-14/h1-6H,(H,13,14).
What are the key properties of N-(4-chloroquinolin-3-yl)formamide?
N-(4-chloroquinolin-3-yl)formamide has a molecular weight of 206.63 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloroquinolin-3-yl)formamide is sourced from PubChem (CID 86227468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).