4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide

C15H14N4O — CID 106384946

IUPAC4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide
SMILESNc1cc(C(=O)NCc2cc[nH]c2)nc2ccccc12
InChIInChI=1S/C15H14N4O/c16-12-7-14(19-13-4-2-1-3-11(12)13)15(20)18-9-10-5-6-17-8-10/h1-8,17H,9H2,(H2,16,19)(H,18,20)
InChIKeyAJFXVSSESAVOPQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.08
Rot. Bonds3

About 4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide

4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide (PubChem CID 106384946) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide
PubChem CID106384946
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide
SMILESNc1cc(C(=O)NCc2cc[nH]c2)nc2ccccc12
InChIInChI=1S/C15H14N4O/c16-12-7-14(19-13-4-2-1-3-11(12)13)15(20)18-9-10-5-6-17-8-10/h1-8,17H,9H2,(H2,16,19)(H,18,20)
InChIKeyAJFXVSSESAVOPQ-UHFFFAOYSA-N
XLogP2.08
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(furan-3-ylmethyl)quinoline-2-carboxamide
CID 115751963
4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide
CID 63375458
4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
CID 63375047
4-amino-N-[2-(methylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 63375489
4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
CID 113319901
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide
CID 115485639
4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115751977
4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide
CID 63375237
4-amino-N-carbamoylquinoline-2-carboxamide
CID 18770494
4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470
4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide
CID 63375138
4-amino-N-(2-iodophenyl)quinoline-2-carboxamide
CID 63375620

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide (CID 106384946) is 4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide is Nc1cc(C(=O)NCc2cc[nH]c2)nc2ccccc12.
What is the InChIKey of 4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide?
The InChIKey is AJFXVSSESAVOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-12-7-14(19-13-4-2-1-3-11(12)13)15(20)18-9-10-5-6-17-8-10/h1-8,17H,9H2,(H2,16,19)(H,18,20).
What are the key properties of 4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide?
4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 106384946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).