N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide

C21H22N6O2 — CID 133306320

IUPACN-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide
SMILESCn1cc(N2CCC(Nc3cc(C(=O)NC4CC4)c4ccccc4n3)C2=O)cn1
InChIInChI=1S/C21H22N6O2/c1-26-12-14(11-22-26)27-9-8-18(21(27)29)25-19-10-16(20(28)23-13-6-7-13)15-4-2-3-5-17(15)24-19/h2-5,10-13,18H,6-9H2,1H3,(H,23,28)(H,24,25)
InChIKeyNOEXRIFZRKSLHH-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.08
Rot. Bonds5

About N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide

N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide (PubChem CID 133306320) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide
PubChem CID133306320
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide
SMILESCn1cc(N2CCC(Nc3cc(C(=O)NC4CC4)c4ccccc4n3)C2=O)cn1
InChIInChI=1S/C21H22N6O2/c1-26-12-14(11-22-26)27-9-8-18(21(27)29)25-19-10-16(20(28)23-13-6-7-13)15-4-2-3-5-17(15)24-19/h2-5,10-13,18H,6-9H2,1H3,(H,23,28)(H,24,25)
InChIKeyNOEXRIFZRKSLHH-UHFFFAOYSA-N
XLogP2.08
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide with MolForge

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Related Compounds

6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053869
1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one
CID 133306428
2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one
CID 137271144
1-(1-methylpyrazol-4-yl)-3-(pyridin-2-ylamino)pyrrolidin-2-one
CID 133306421
1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
CID 122058339
N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide
CID 133454577
(Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 98525887
N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide
CID 133274243
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 133304730
3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133389739
N-(4-methylphenyl)-6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 133306403

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide (CID 133306320) is N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide is Cn1cc(N2CCC(Nc3cc(C(=O)NC4CC4)c4ccccc4n3)C2=O)cn1.
What is the InChIKey of N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide?
The InChIKey is NOEXRIFZRKSLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-26-12-14(11-22-26)27-9-8-18(21(27)29)25-19-10-16(20(28)23-13-6-7-13)15-4-2-3-5-17(15)24-19/h2-5,10-13,18H,6-9H2,1H3,(H,23,28)(H,24,25).
What are the key properties of N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide?
N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide is sourced from PubChem (CID 133306320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).