8-chloroquinoline;1H-pyrazol-5-amine

C12H11ClN4 — CID 175233770

IUPAC8-chloroquinoline;1H-pyrazol-5-amine
SMILESClc1cccc2cccnc12.Nc1ccn[nH]1
InChIInChI=1S/C9H6ClN.C3H5N3/c10-8-5-1-3-7-4-2-6-11-9(7)8;4-3-1-2-5-6-3/h1-6H;1-2H,(H3,4,5,6)
InChIKeyIRWVUUCSAUGMIH-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.88
Rot. Bonds

About 8-chloroquinoline;1H-pyrazol-5-amine

8-chloroquinoline;1H-pyrazol-5-amine (PubChem CID 175233770) has the molecular formula C12H11ClN4 and a molecular weight of 246.70 g/mol. Its IUPAC name is 8-chloroquinoline;1H-pyrazol-5-amine.

Molecular Properties

Compound Name8-chloroquinoline;1H-pyrazol-5-amine
PubChem CID175233770
Molecular FormulaC12H11ClN4
Molecular Weight246.70 g/mol
Exact Mass246.07
IUPAC Name8-chloroquinoline;1H-pyrazol-5-amine
SMILESClc1cccc2cccnc12.Nc1ccn[nH]1
InChIInChI=1S/C9H6ClN.C3H5N3/c10-8-5-1-3-7-4-2-6-11-9(7)8;4-3-1-2-5-6-3/h1-6H;1-2H,(H3,4,5,6)
InChIKeyIRWVUUCSAUGMIH-UHFFFAOYSA-N
XLogP2.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 142246255
2-chloroaniline;quinolin-8-ol
CID 70504979
8-chloroquinolin-6-amine
CID 53435994
ethane;quinolin-8-amine
CID 91158659
8-[2-(2,6-dichlorophenoxy)ethoxy]quinoline
CID 2283916
bis(8-chloroquinoline);(2,3,4,5,6-pentafluorophenoxy)boronic acid
CID 172821560
2-chloro-4-quinolin-8-ylaniline
CID 107607720
2-chloro-5-quinolin-8-ylaniline
CID 81224974
8-[4-(2,6-dichlorophenoxy)butoxy]quinoline
CID 2284830
3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 104834766
3-chloro-2-(quinolin-8-ylmethylsulfanyl)aniline
CID 43304886
(3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine
CID 107102903

Frequently Asked Questions

What is the IUPAC name of 8-chloroquinoline;1H-pyrazol-5-amine?
The IUPAC name of 8-chloroquinoline;1H-pyrazol-5-amine (CID 175233770) is 8-chloroquinoline;1H-pyrazol-5-amine.
What is the SMILES notation for 8-chloroquinoline;1H-pyrazol-5-amine?
The canonical SMILES for 8-chloroquinoline;1H-pyrazol-5-amine is Clc1cccc2cccnc12.Nc1ccn[nH]1.
What is the InChIKey of 8-chloroquinoline;1H-pyrazol-5-amine?
The InChIKey is IRWVUUCSAUGMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN.C3H5N3/c10-8-5-1-3-7-4-2-6-11-9(7)8;4-3-1-2-5-6-3/h1-6H;1-2H,(H3,4,5,6).
What are the key properties of 8-chloroquinoline;1H-pyrazol-5-amine?
8-chloroquinoline;1H-pyrazol-5-amine has a molecular weight of 246.70 g/mol, XLogP of 2.88, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloroquinoline;1H-pyrazol-5-amine is sourced from PubChem (CID 175233770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).