(2-phenylbenzo[h]quinolin-4-yl)methanamine

C20H16N2 — CID 122193009

IUPAC(2-phenylbenzo[h]quinolin-4-yl)methanamine
SMILESNCc1cc(-c2ccccc2)nc2c1ccc1ccccc12
InChIInChI=1S/C20H16N2/c21-13-16-12-19(15-7-2-1-3-8-15)22-20-17-9-5-4-6-14(17)10-11-18(16)20/h1-12H,13,21H2
InChIKeyNILJTPKQKIXYRP-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.51
Rot. Bonds2

About (2-phenylbenzo[h]quinolin-4-yl)methanamine

(2-phenylbenzo[h]quinolin-4-yl)methanamine (PubChem CID 122193009) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2-phenylbenzo[h]quinolin-4-yl)methanamine.

Molecular Properties

Compound Name(2-phenylbenzo[h]quinolin-4-yl)methanamine
PubChem CID122193009
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name(2-phenylbenzo[h]quinolin-4-yl)methanamine
SMILESNCc1cc(-c2ccccc2)nc2c1ccc1ccccc12
InChIInChI=1S/C20H16N2/c21-13-16-12-19(15-7-2-1-3-8-15)22-20-17-9-5-4-6-14(17)10-11-18(16)20/h1-12H,13,21H2
InChIKeyNILJTPKQKIXYRP-UHFFFAOYSA-N
XLogP4.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.51
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

(2-phenylquinolin-4-yl)methanamine;hydrochloride
CID 82025622
13-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 134445662
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline
CID 129265511
iridium;2-phenylbenzo[h]quinoline
CID 175438986
[2-(4-chlorophenyl)quinolin-4-yl]methanamine;hydrochloride
CID 82025623
[4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine
CID 121441204
4,6-diphenyl-2-[4-(7-phenylbenzo[a]anthracen-12-yl)phenyl]pyrimidine
CID 164799714
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline
CID 10741400
4,7-dinaphthalen-2-yl-2,9-diphenyl-1,10-phenanthroline
CID 70909440
12-[4-(2-phenylbenzo[h]quinolin-4-yl)phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
CID 163679299
7-phenylbenzo[f][4,7]phenanthroline
CID 169052915

Frequently Asked Questions

What is the IUPAC name of (2-phenylbenzo[h]quinolin-4-yl)methanamine?
The IUPAC name of (2-phenylbenzo[h]quinolin-4-yl)methanamine (CID 122193009) is (2-phenylbenzo[h]quinolin-4-yl)methanamine.
What is the SMILES notation for (2-phenylbenzo[h]quinolin-4-yl)methanamine?
The canonical SMILES for (2-phenylbenzo[h]quinolin-4-yl)methanamine is NCc1cc(-c2ccccc2)nc2c1ccc1ccccc12.
What is the InChIKey of (2-phenylbenzo[h]quinolin-4-yl)methanamine?
The InChIKey is NILJTPKQKIXYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c21-13-16-12-19(15-7-2-1-3-8-15)22-20-17-9-5-4-6-14(17)10-11-18(16)20/h1-12H,13,21H2.
What are the key properties of (2-phenylbenzo[h]quinolin-4-yl)methanamine?
(2-phenylbenzo[h]quinolin-4-yl)methanamine has a molecular weight of 284.36 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylbenzo[h]quinolin-4-yl)methanamine is sourced from PubChem (CID 122193009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).