N-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide

C21H18N4O3 — CID 35065087

IUPACN-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide
SMILESO=C(NNC(=O)c1ccc2ccccc2n1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H18N4O3/c26-19(14-8-9-14)22-16-6-3-5-15(12-16)20(27)24-25-21(28)18-11-10-13-4-1-2-7-17(13)23-18/h1-7,10-12,14H,8-9H2,(H,22,26)(H,24,27)(H,25,28)
InChIKeyFVHGGMLNUHWJTI-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.66
Rot. Bonds4

About N-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide

N-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide (PubChem CID 35065087) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide
PubChem CID35065087
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide
SMILESO=C(NNC(=O)c1ccc2ccccc2n1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H18N4O3/c26-19(14-8-9-14)22-16-6-3-5-15(12-16)20(27)24-25-21(28)18-11-10-13-4-1-2-7-17(13)23-18/h1-7,10-12,14H,8-9H2,(H,22,26)(H,24,27)(H,25,28)
InChIKeyFVHGGMLNUHWJTI-UHFFFAOYSA-N
XLogP2.66
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(cyclopropanecarbonyl)quinoline-2-carbohydrazide
CID 26798961
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]quinoline-2-carboxamide
CID 17408613
N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35063560
1-(3-bromophenyl)-3-(quinoline-2-carbonylamino)thiourea
CID 26956955
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-(cyclopropanecarbonylamino)-N-(2-hydroxyphenyl)benzamide
CID 29260677
N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
CID 29266891
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide
CID 38135778
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774

Frequently Asked Questions

What is the IUPAC name of N-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide (CID 35065087) is N-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide is O=C(NNC(=O)c1ccc2ccccc2n1)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is FVHGGMLNUHWJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-19(14-8-9-14)22-16-6-3-5-15(12-16)20(27)24-25-21(28)18-11-10-13-4-1-2-7-17(13)23-18/h1-7,10-12,14H,8-9H2,(H,22,26)(H,24,27)(H,25,28).
What are the key properties of N-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide?
N-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(quinoline-2-carbonylamino)carbamoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 35065087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).