4-methylbenzo[h]quinolin-2-amine

C14H12N2 — CID 12820957

IUPAC4-methylbenzo[h]quinolin-2-amine
SMILESCc1cc(N)nc2c1ccc1ccccc12
InChIInChI=1S/C14H12N2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3,(H2,15,16)
InChIKeyXYTOAXAQLHYOMX-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.28
Rot. Bonds

About 4-methylbenzo[h]quinolin-2-amine

4-methylbenzo[h]quinolin-2-amine (PubChem CID 12820957) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-methylbenzo[h]quinolin-2-amine.

Molecular Properties

Compound Name4-methylbenzo[h]quinolin-2-amine
PubChem CID12820957
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name4-methylbenzo[h]quinolin-2-amine
SMILESCc1cc(N)nc2c1ccc1ccccc12
InChIInChI=1S/C14H12N2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3,(H2,15,16)
InChIKeyXYTOAXAQLHYOMX-UHFFFAOYSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

benzo[h]quinazoline-2,4-diamine
CID 70564764
5-methyl-1,10-phenanthrolin-2-amine
CID 121279009
7-methyl-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene
CID 170258496
4-methyl-1,8-naphthyridin-2-amine
CID 23008692
methane;1-methylphenanthrene
CID 175001905
2-amino-5,7-dimethylquinolin-8-ol;ethane
CID 145281381
10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 24939091
1,3,4-trimethylphenanthrene
CID 53421592
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
ethane;4-methylnaphthalen-2-amine
CID 144829259

Frequently Asked Questions

What is the IUPAC name of 4-methylbenzo[h]quinolin-2-amine?
The IUPAC name of 4-methylbenzo[h]quinolin-2-amine (CID 12820957) is 4-methylbenzo[h]quinolin-2-amine.
What is the SMILES notation for 4-methylbenzo[h]quinolin-2-amine?
The canonical SMILES for 4-methylbenzo[h]quinolin-2-amine is Cc1cc(N)nc2c1ccc1ccccc12.
What is the InChIKey of 4-methylbenzo[h]quinolin-2-amine?
The InChIKey is XYTOAXAQLHYOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3,(H2,15,16).
What are the key properties of 4-methylbenzo[h]quinolin-2-amine?
4-methylbenzo[h]quinolin-2-amine has a molecular weight of 208.26 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzo[h]quinolin-2-amine is sourced from PubChem (CID 12820957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).