N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide

C21H19N3O2 — CID 17408613

IUPACN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide
SMILESO=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc2ccccc2n1
InChIInChI=1S/C21H19N3O2/c25-20(16-8-9-16)23-17-6-3-4-14(12-17)13-22-21(26)19-11-10-15-5-1-2-7-18(15)24-19/h1-7,10-12,16H,8-9,13H2,(H,22,26)(H,23,25)
InChIKeySYOVDIQGUXXQRX-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.51
Rot. Bonds5

About N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide

N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide (PubChem CID 17408613) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide
PubChem CID17408613
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide
SMILESO=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc2ccccc2n1
InChIInChI=1S/C21H19N3O2/c25-20(16-8-9-16)23-17-6-3-4-14(12-17)13-22-21(26)19-11-10-15-5-1-2-7-18(15)24-19/h1-7,10-12,16H,8-9,13H2,(H,22,26)(H,23,25)
InChIKeySYOVDIQGUXXQRX-UHFFFAOYSA-N
XLogP3.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide
CID 35065087
6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119180393
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-fluorobenzamide
CID 17498569
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
CID 46569381
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 30342481
5-(cyclopropanecarbonylamino)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]thiophene-2-carboxamide
CID 17492769
N'-(cyclopropanecarbonyl)quinoline-2-carbohydrazide
CID 26798961
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055351
2-(aminomethyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119710762
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55893796
N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide
CID 38971731

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide?
The IUPAC name of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide (CID 17408613) is N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide is O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc2ccccc2n1.
What is the InChIKey of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide?
The InChIKey is SYOVDIQGUXXQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-20(16-8-9-16)23-17-6-3-4-14(12-17)13-22-21(26)19-11-10-15-5-1-2-7-18(15)24-19/h1-7,10-12,16H,8-9,13H2,(H,22,26)(H,23,25).
What are the key properties of N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide?
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 17408613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).