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

C15H15N5O — CID 115751977

IUPAC4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
SMILESNc1cc(C(=O)NCCc2ncc[nH]2)nc2ccccc12
InChIInChI=1S/C15H15N5O/c16-11-9-13(20-12-4-2-1-3-10(11)12)15(21)19-6-5-14-17-7-8-18-14/h1-4,7-9H,5-6H2,(H2,16,20)(H,17,18)(H,19,21)
InChIKeyDPGOZTYBZDZDAO-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.51
Rot. Bonds4

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

4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide (PubChem CID 115751977) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
PubChem CID115751977
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
SMILESNc1cc(C(=O)NCCc2ncc[nH]2)nc2ccccc12
InChIInChI=1S/C15H15N5O/c16-11-9-13(20-12-4-2-1-3-10(11)12)15(21)19-6-5-14-17-7-8-18-14/h1-4,7-9H,5-6H2,(H2,16,20)(H,17,18)(H,19,21)
InChIKeyDPGOZTYBZDZDAO-UHFFFAOYSA-N
XLogP1.51
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115620186
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]naphthalene-2-carboxamide
CID 115741084
4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide
CID 63375138
1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide
CID 106772922
4-amino-N-[2-(cyclopenten-1-yl)ethyl]quinoline-2-carboxamide
CID 103843001
4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide
CID 106384946
2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 113315085
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]quinoline-2-carboxamide
CID 63375694
4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide
CID 63375458
N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 115620011
4-amino-N-[2-(methylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 63375489
4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
CID 113319901

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide (CID 115751977) is 4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide is Nc1cc(C(=O)NCCc2ncc[nH]2)nc2ccccc12.
What is the InChIKey of 4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide?
The InChIKey is DPGOZTYBZDZDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-11-9-13(20-12-4-2-1-3-10(11)12)15(21)19-6-5-14-17-7-8-18-14/h1-4,7-9H,5-6H2,(H2,16,20)(H,17,18)(H,19,21).
What are the key properties of 4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide?
4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 115751977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).