N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide

C21H19N3O3 — CID 24601678

IUPACN-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)ccc2c1
InChIInChI=1S/C21H19N3O3/c1-27-17-9-11-18-14(12-17)4-10-19(24-18)21(26)23-16-7-5-15(6-8-16)22-20(25)13-2-3-13/h4-13H,2-3H2,1H3,(H,22,25)(H,23,26)
InChIKeyCWCBLFGLNFKXLY-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.84
Rot. Bonds5

About N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide

N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide (PubChem CID 24601678) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide
PubChem CID24601678
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)ccc2c1
InChIInChI=1S/C21H19N3O3/c1-27-17-9-11-18-14(12-17)4-10-19(24-18)21(26)23-16-7-5-15(6-8-16)22-20(25)13-2-3-13/h4-13H,2-3H2,1H3,(H,22,25)(H,23,26)
InChIKeyCWCBLFGLNFKXLY-UHFFFAOYSA-N
XLogP3.84
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33314007
N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide
CID 33313694
N-(3-acetylphenyl)-6-methoxyquinoline-2-carboxamide
CID 18131971
N-(5-chloro-2,4-dimethoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33316078
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide
CID 166435654
2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
CID 42470780
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide
CID 57393591
6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide
CID 24584233
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
N-[3-(ethylcarbamoyl)phenyl]-6-methoxyquinoline-2-carboxamide
CID 17410272
6-methoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]quinoline-2-carboxamide
CID 78887491

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide (CID 24601678) is N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide is COc1ccc2nc(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)ccc2c1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide?
The InChIKey is CWCBLFGLNFKXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-27-17-9-11-18-14(12-17)4-10-19(24-18)21(26)23-16-7-5-15(6-8-16)22-20(25)13-2-3-13/h4-13H,2-3H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide?
N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 24601678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).