N-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine

C19H22N2 — CID 63480758

IUPACN-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine
SMILESCCNc1c(C(C)C)c(C)nc2c1ccc1ccccc12
InChIInChI=1S/C19H22N2/c1-5-20-19-16-11-10-14-8-6-7-9-15(14)18(16)21-13(4)17(19)12(2)3/h6-12H,5H2,1-4H3,(H,20,21)
InChIKeyFSRNESKYYGFLQV-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.25
Rot. Bonds3

About N-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine

N-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine (PubChem CID 63480758) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine
PubChem CID63480758
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine
SMILESCCNc1c(C(C)C)c(C)nc2c1ccc1ccccc12
InChIInChI=1S/C19H22N2/c1-5-20-19-16-11-10-14-8-6-7-9-15(14)18(16)21-13(4)17(19)12(2)3/h6-12H,5H2,1-4H3,(H,20,21)
InChIKeyFSRNESKYYGFLQV-UHFFFAOYSA-N
XLogP5.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.25
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

8-chloro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63480623
7-chloro-2,8-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63481435
N-ethyl-2,3,8-trimethylquinolin-4-amine
CID 62196442
8-(methoxymethyl)-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63482759
5-chloro-N-ethyl-8-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine
CID 63481445
4-(ethylamino)benzo[h]quinoline-3-carbonitrile
CID 62188672
N-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine
CID 103996194
N-ethyl-2,3-dimethyl-8-propylquinolin-4-amine
CID 63482024
5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine
CID 107370593
ethane;N-ethyl-2,3-dimethylquinolin-4-amine
CID 142091780
N-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine
CID 62197895
2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 75452820

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine?
The IUPAC name of N-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine (CID 63480758) is N-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine is CCNc1c(C(C)C)c(C)nc2c1ccc1ccccc12.
What is the InChIKey of N-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine?
The InChIKey is FSRNESKYYGFLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-5-20-19-16-11-10-14-8-6-7-9-15(14)18(16)21-13(4)17(19)12(2)3/h6-12H,5H2,1-4H3,(H,20,21).
What are the key properties of N-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine?
N-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine is sourced from PubChem (CID 63480758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).