N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide

C22H18N4O2 — CID 55754135

IUPACN-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
SMILESNC(=O)Nc1ccc(CNC(=O)c2cc3ccccc3c3cccnc23)cc1
InChIInChI=1S/C22H18N4O2/c23-22(28)26-16-9-7-14(8-10-16)13-25-21(27)19-12-15-4-1-2-5-17(15)18-6-3-11-24-20(18)19/h1-12H,13H2,(H,25,27)(H3,23,26,28)
InChIKeyCEDKMOCANSCGCO-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.81
Rot. Bonds4

About N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide

N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide (PubChem CID 55754135) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
PubChem CID55754135
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
SMILESNC(=O)Nc1ccc(CNC(=O)c2cc3ccccc3c3cccnc23)cc1
InChIInChI=1S/C22H18N4O2/c23-22(28)26-16-9-7-14(8-10-16)13-25-21(27)19-12-15-4-1-2-5-17(15)18-6-3-11-24-20(18)19/h1-12H,13H2,(H,25,27)(H3,23,26,28)
InChIKeyCEDKMOCANSCGCO-UHFFFAOYSA-N
XLogP3.81
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.81
H-Bond Donors ≤ 53
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-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide
CID 71894350
N-[4-(pyrazol-1-ylmethyl)phenyl]benzo[f]quinoline-5-carboxamide
CID 55970824
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55893796
N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide
CID 110893927
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55953532
N-[2-(3,5-difluorophenyl)ethyl]benzo[f]quinoline-5-carboxamide
CID 60610166
N-[[2-(ethoxymethyl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55753701
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 78884282
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55841050
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 56517786
N-(1-methylpyrazol-4-yl)benzo[f]quinoline-5-carboxamide
CID 51090073
N-[[4-(carbamoylamino)phenyl]methyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 155947041

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide (CID 55754135) is N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide is NC(=O)Nc1ccc(CNC(=O)c2cc3ccccc3c3cccnc23)cc1.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide?
The InChIKey is CEDKMOCANSCGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c23-22(28)26-16-9-7-14(8-10-16)13-25-21(27)19-12-15-4-1-2-5-17(15)18-6-3-11-24-20(18)19/h1-12H,13H2,(H,25,27)(H3,23,26,28).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide?
N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 55754135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).