4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide

C17H19N3O — CID 103843001

IUPAC4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide
SMILESNc1cc(C(=O)NCCC2=CCCC2)nc2ccccc12
InChIInChI=1S/C17H19N3O/c18-14-11-16(20-15-8-4-3-7-13(14)15)17(21)19-10-9-12-5-1-2-6-12/h3-5,7-8,11H,1-2,6,9-10H2,(H2,18,20)(H,19,21)
InChIKeyCBBOHFUCNDFFCB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.05
Rot. Bonds4

About 4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide

4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide (PubChem CID 103843001) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide
PubChem CID103843001
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide
SMILESNc1cc(C(=O)NCCC2=CCCC2)nc2ccccc12
InChIInChI=1S/C17H19N3O/c18-14-11-16(20-15-8-4-3-7-13(14)15)17(21)19-10-9-12-5-1-2-6-12/h3-5,7-8,11H,1-2,6,9-10H2,(H2,18,20)(H,19,21)
InChIKeyCBBOHFUCNDFFCB-UHFFFAOYSA-N
XLogP3.05
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-[2-(cyclopenten-1-yl)ethyl]isoquinoline-3-carboxamide
CID 106173624
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinoline-4-carboxamide
CID 103842397
4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115751977
4-amino-N-[2-(methylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 63375489
(4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone
CID 106655642
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridine-2-carboxamide
CID 103842433
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-phenylpyridine-2,6-dicarboxamide
CID 109095600
2-anilino-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323426
N-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
CID 20868521
4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
CID 113319901
4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide
CID 63375414
4-amino-N-cyclopentyloxyquinoline-2-carboxamide
CID 83216868

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide (CID 103843001) is 4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide is Nc1cc(C(=O)NCCC2=CCCC2)nc2ccccc12.
What is the InChIKey of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide?
The InChIKey is CBBOHFUCNDFFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-14-11-16(20-15-8-4-3-7-13(14)15)17(21)19-10-9-12-5-1-2-6-12/h3-5,7-8,11H,1-2,6,9-10H2,(H2,18,20)(H,19,21).
What are the key properties of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide?
4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 103843001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).