N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

C16H15N5O3 — CID 60508476

IUPACN-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCn1cc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)cn1
InChIInChI=1S/C16H15N5O3/c1-21-9-10(6-19-21)20-14(22)8-18-16(24)12-7-17-13-5-3-2-4-11(13)15(12)23/h2-7,9H,8H2,1H3,(H,17,23)(H,18,24)(H,20,22)
InChIKeyOPYWIZBXGCBNMU-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.63
Rot. Bonds4

About N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 60508476) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID60508476
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC NameN-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCn1cc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)cn1
InChIInChI=1S/C16H15N5O3/c1-21-9-10(6-19-21)20-14(22)8-18-16(24)12-7-17-13-5-3-2-4-11(13)15(12)23/h2-7,9H,8H2,1H3,(H,17,23)(H,18,24)(H,20,22)
InChIKeyOPYWIZBXGCBNMU-UHFFFAOYSA-N
XLogP0.63
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-bromoanilino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55753979
N-[2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55830677
4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide
CID 55702746
N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55789378
N-[2-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55976567
N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 47056675
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119630571
N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 87017576
N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
CID 47381471
4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide
CID 55702331
N-[2-[5-(ethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55965165
4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 119403797

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 60508476) is N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is Cn1cc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)cn1.
What is the InChIKey of N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is OPYWIZBXGCBNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-21-9-10(6-19-21)20-14(22)8-18-16(24)12-7-17-13-5-3-2-4-11(13)15(12)23/h2-7,9H,8H2,1H3,(H,17,23)(H,18,24)(H,20,22).
What are the key properties of N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 60508476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).