N-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine

C20H23N3 — CID 6962816

IUPACN-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine
SMILESCCN1CCC[C@H](Nc2ccnc3cc4ccccc4cc23)C1
InChIInChI=1S/C20H23N3/c1-2-23-11-5-8-17(14-23)22-19-9-10-21-20-13-16-7-4-3-6-15(16)12-18(19)20/h3-4,6-7,9-10,12-13,17H,2,5,8,11,14H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyUZPLONKABCDCOF-KRWDZBQOSA-N
MW305.43 g/mol
LogP4.28
Rot. Bonds3

About N-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine

N-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine (PubChem CID 6962816) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine.

Molecular Properties

Compound NameN-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine
PubChem CID6962816
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC NameN-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine
SMILESCCN1CCC[C@H](Nc2ccnc3cc4ccccc4cc23)C1
InChIInChI=1S/C20H23N3/c1-2-23-11-5-8-17(14-23)22-19-9-10-21-20-13-16-7-4-3-6-15(16)12-18(19)20/h3-4,6-7,9-10,12-13,17H,2,5,8,11,14H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyUZPLONKABCDCOF-KRWDZBQOSA-N
XLogP4.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine?
The IUPAC name of N-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine (CID 6962816) is N-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine.
What is the SMILES notation for N-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine?
The canonical SMILES for N-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine is CCN1CCC[C@H](Nc2ccnc3cc4ccccc4cc23)C1.
What is the InChIKey of N-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine?
The InChIKey is UZPLONKABCDCOF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3/c1-2-23-11-5-8-17(14-23)22-19-9-10-21-20-13-16-7-4-3-6-15(16)12-18(19)20/h3-4,6-7,9-10,12-13,17H,2,5,8,11,14H2,1H3,(H,21,22)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine?
N-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine has a molecular weight of 305.43 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine is sourced from PubChem (CID 6962816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).