3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine

C16H14ClN3 — CID 104834766

IUPAC3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
SMILESNc1c(Cl)cccc1NCc1cccc2cccnc12
InChIInChI=1S/C16H14ClN3/c17-13-7-2-8-14(15(13)18)20-10-12-5-1-4-11-6-3-9-19-16(11)12/h1-9,20H,10,18H2
InChIKeyAOZKSOBBTAYNET-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.08
Rot. Bonds3

About 3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine

3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine (PubChem CID 104834766) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
PubChem CID104834766
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
SMILESNc1c(Cl)cccc1NCc1cccc2cccnc12
InChIInChI=1S/C16H14ClN3/c17-13-7-2-8-14(15(13)18)20-10-12-5-1-4-11-6-3-9-19-16(11)12/h1-9,20H,10,18H2
InChIKeyAOZKSOBBTAYNET-UHFFFAOYSA-N
XLogP4.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile
CID 81426754
2-chloro-6-[(quinolin-8-ylamino)methyl]phenol
CID 115904886
3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine
CID 102759247
2-bromo-N-(quinolin-8-ylmethyl)aniline
CID 28616025
6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine
CID 107266353
4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline
CID 28992978
2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 43726392
3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
CID 81428850
N-(quinolin-8-ylmethyl)aniline
CID 28610045
2-ethoxy-N-(quinolin-8-ylmethyl)aniline
CID 28612848
4-bromo-5-fluoro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 81427965
3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine
CID 104777182

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine (CID 104834766) is 3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine is Nc1c(Cl)cccc1NCc1cccc2cccnc12.
What is the InChIKey of 3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine?
The InChIKey is AOZKSOBBTAYNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-13-7-2-8-14(15(13)18)20-10-12-5-1-4-11-6-3-9-19-16(11)12/h1-9,20H,10,18H2.
What are the key properties of 3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine?
3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine has a molecular weight of 283.76 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 104834766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).