N-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide

C14H13N5O — CID 63563757

IUPACN-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ncc[nH]2)c2ccccc2n1
InChIInChI=1S/C14H13N5O/c1-15-12-8-10(9-4-2-3-5-11(9)18-12)13(20)19-14-16-6-7-17-14/h2-8H,1H3,(H,15,18)(H2,16,17,19,20)
InChIKeyBZDCMQALVCAFOC-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.25
Rot. Bonds3

About N-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide

N-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide (PubChem CID 63563757) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide
PubChem CID63563757
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ncc[nH]2)c2ccccc2n1
InChIInChI=1S/C14H13N5O/c1-15-12-8-10(9-4-2-3-5-11(9)18-12)13(20)19-14-16-6-7-17-14/h2-8H,1H3,(H,15,18)(H2,16,17,19,20)
InChIKeyBZDCMQALVCAFOC-UHFFFAOYSA-N
XLogP2.25
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-(1H-imidazol-2-yl)quinoline-4-carboxamide
CID 63563758
N-(1H-imidazol-2-yl)-2-(methylamino)benzamide
CID 63563761
N-(1H-imidazol-2-yl)-2-methylbenzamide
CID 60968635
N-(1H-imidazol-2-yl)-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 113379092
2-(methylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 115635314
2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 62165979
2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide
CID 83016827
N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114923550
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916
2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide
CID 64688497
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
CID 62640042
2-ethoxy-N-(1H-imidazol-2-yl)benzamide
CID 60967218

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide?
The IUPAC name of N-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide (CID 63563757) is N-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide is CNc1cc(C(=O)Nc2ncc[nH]2)c2ccccc2n1.
What is the InChIKey of N-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide?
The InChIKey is BZDCMQALVCAFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-15-12-8-10(9-4-2-3-5-11(9)18-12)13(20)19-14-16-6-7-17-14/h2-8H,1H3,(H,15,18)(H2,16,17,19,20).
What are the key properties of N-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide?
N-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide is sourced from PubChem (CID 63563757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).