N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide

C22H25N3O — CID 78896749

IUPACN-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C22H25N3O/c1-16(15-25-12-5-2-6-13-25)24-22(26)20-14-17-8-3-4-9-18(17)19-10-7-11-23-21(19)20/h3-4,7-11,14,16H,2,5-6,12-13,15H2,1H3,(H,24,26)
InChIKeyVVLJVIBZPVFWFL-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.99
Rot. Bonds4

About N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide

N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide (PubChem CID 78896749) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide
PubChem CID78896749
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C22H25N3O/c1-16(15-25-12-5-2-6-13-25)24-22(26)20-14-17-8-3-4-9-18(17)19-10-7-11-23-21(19)20/h3-4,7-11,14,16H,2,5-6,12-13,15H2,1H3,(H,24,26)
InChIKeyVVLJVIBZPVFWFL-UHFFFAOYSA-N
XLogP3.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide
CID 95018401
8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
CID 46951603
N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide
CID 110893927
2-[4-(benzo[f]quinoline-5-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 55762083
3-hydroxy-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 82828949
3-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 105069457
N-[1-(azepan-1-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46958435
N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide
CID 51090073
benzo[f]quinolin-5-yl-(2-methylpiperidin-1-yl)methanone
CID 71895825
2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977229
N-[5-(morpholin-4-ylmethyl)-2-pyridinyl]benzo[f]quinoline-5-carboxamide
CID 75469956
2-chloro-N-(1-piperidin-1-ylpropan-2-yl)furan-3-carboxamide
CID 106685808

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide (CID 78896749) is N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide is CC(CN1CCCCC1)NC(=O)c1cc2ccccc2c2cccnc12.
What is the InChIKey of N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide?
The InChIKey is VVLJVIBZPVFWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16(15-25-12-5-2-6-13-25)24-22(26)20-14-17-8-3-4-9-18(17)19-10-7-11-23-21(19)20/h3-4,7-11,14,16H,2,5-6,12-13,15H2,1H3,(H,24,26).
What are the key properties of N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide?
N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 78896749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).