N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide

C27H25N3O2 — CID 55893796

IUPACN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
SMILESO=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C27H25N3O2/c31-26(19-8-1-2-9-19)30-21-11-5-7-18(15-21)17-29-27(32)24-16-20-10-3-4-12-22(20)23-13-6-14-28-25(23)24/h3-7,10-16,19H,1-2,8-9,17H2,(H,29,32)(H,30,31)
InChIKeyMJAOJTKJJPXUKT-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.45
Rot. Bonds5

About N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide

N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide (PubChem CID 55893796) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
PubChem CID55893796
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
SMILESO=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C27H25N3O2/c31-26(19-8-1-2-9-19)30-21-11-5-7-18(15-21)17-29-27(32)24-16-20-10-3-4-12-22(20)23-13-6-14-28-25(23)24/h3-7,10-16,19H,1-2,8-9,17H2,(H,29,32)(H,30,31)
InChIKeyMJAOJTKJJPXUKT-UHFFFAOYSA-N
XLogP5.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.45
H-Bond Donors ≤ 52
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-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55953532
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 78884282
2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 119944325
N-[3-[[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 55948883
N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55754135
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055351
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-fluorobenzamide
CID 17498569
6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119180393
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 71884647
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide
CID 47063709

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide (CID 55893796) is N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide is O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1cc2ccccc2c2cccnc12.
What is the InChIKey of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide?
The InChIKey is MJAOJTKJJPXUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c31-26(19-8-1-2-9-19)30-21-11-5-7-18(15-21)17-29-27(32)24-16-20-10-3-4-12-22(20)23-13-6-14-28-25(23)24/h3-7,10-16,19H,1-2,8-9,17H2,(H,29,32)(H,30,31).
What are the key properties of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide?
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 55893796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).