N-[6-(2-aminoanilino)-6-oxohexyl]cinnoline-4-carboxamide

C21H23N5O2 — CID 45137895

IUPACN-[6-(2-aminoanilino)-6-oxohexyl]cinnoline-4-carboxamide
SMILESNc1ccccc1NC(=O)CCCCCNC(=O)c1cnnc2ccccc12
InChIInChI=1S/C21H23N5O2/c22-17-9-4-6-11-19(17)25-20(27)12-2-1-7-13-23-21(28)16-14-24-26-18-10-5-3-8-15(16)18/h3-6,8-11,14H,1-2,7,12-13,22H2,(H,23,28)(H,25,27)
InChIKeyDMYIBALMHHHZHM-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.14
Rot. Bonds8

About N-[6-(2-aminoanilino)-6-oxohexyl]cinnoline-4-carboxamide

N-[6-(2-aminoanilino)-6-oxohexyl]cinnoline-4-carboxamide (PubChem CID 45137895) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[6-(2-aminoanilino)-6-oxohexyl]cinnoline-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-aminoanilino)-6-oxohexyl]cinnoline-4-carboxamide
PubChem CID45137895
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[6-(2-aminoanilino)-6-oxohexyl]cinnoline-4-carboxamide
SMILESNc1ccccc1NC(=O)CCCCCNC(=O)c1cnnc2ccccc12
InChIInChI=1S/C21H23N5O2/c22-17-9-4-6-11-19(17)25-20(27)12-2-1-7-13-23-21(28)16-14-24-26-18-10-5-3-8-15(16)18/h3-6,8-11,14H,1-2,7,12-13,22H2,(H,23,28)(H,25,27)
InChIKeyDMYIBALMHHHZHM-UHFFFAOYSA-N
XLogP3.14
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide
CID 155510433
N-[6-(2-aminoanilino)-6-oxohexyl]quinoline-7-carboxamide
CID 45137732
N-[6-(2-aminoanilino)-6-oxohexyl]quinoline-3-carboxamide
CID 60207644
N-[6-(2-aminoanilino)-6-oxohexyl]-1H-indazole-7-carboxamide
CID 60207783
N-(2-(Dimethylamino)ethyl)-3-phenyl-5-quinoxalinecarboxamide
CID 154009
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide
CID 16746134
N-(2-methyl-5-(3-(trifluoromethyl)phenylcarbamoyl)phenyl)cinnoline-4-carboxamide 2,2,2-trifluoroacetate
CID 46902921
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]cinnoline-4-carboxamide
CID 164609869
N-[2-(diethylamino)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518495
N-[2-(diethylamino)ethyl]-2-(2-methylpyrazol-3-yl)quinoline-4-carboxamide
CID 155563909
N-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide
CID 45137574
6-Phenyl-4-(propan-2-ylamino)cinnoline-3-carboxamide
CID 71061001

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]cinnoline-4-carboxamide?
The IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]cinnoline-4-carboxamide (CID 45137895) is N-[6-(2-aminoanilino)-6-oxohexyl]cinnoline-4-carboxamide.
What is the SMILES notation for N-[6-(2-aminoanilino)-6-oxohexyl]cinnoline-4-carboxamide?
The canonical SMILES for N-[6-(2-aminoanilino)-6-oxohexyl]cinnoline-4-carboxamide is Nc1ccccc1NC(=O)CCCCCNC(=O)c1cnnc2ccccc12.
What is the InChIKey of N-[6-(2-aminoanilino)-6-oxohexyl]cinnoline-4-carboxamide?
The InChIKey is DMYIBALMHHHZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c22-17-9-4-6-11-19(17)25-20(27)12-2-1-7-13-23-21(28)16-14-24-26-18-10-5-3-8-15(16)18/h3-6,8-11,14H,1-2,7,12-13,22H2,(H,23,28)(H,25,27).
What are the key properties of N-[6-(2-aminoanilino)-6-oxohexyl]cinnoline-4-carboxamide?
N-[6-(2-aminoanilino)-6-oxohexyl]cinnoline-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoanilino)-6-oxohexyl]cinnoline-4-carboxamide is sourced from PubChem (CID 45137895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).