N-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

C21H16F2N4O — CID 171561065

IUPACN-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCn1cc(-c2cc(C(=O)NCc3ccc(F)cc3F)nc3ccccc23)cn1
InChIInChI=1S/C21H16F2N4O/c1-27-12-14(11-25-27)17-9-20(26-19-5-3-2-4-16(17)19)21(28)24-10-13-6-7-15(22)8-18(13)23/h2-9,11-12H,10H2,1H3,(H,24,28)
InChIKeyOZEKYGFTWNLYOT-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.84
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

N-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (PubChem CID 171561065) has the molecular formula C21H16F2N4O and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
PubChem CID171561065
Molecular FormulaC21H16F2N4O
Molecular Weight378.38 g/mol
Exact Mass378.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCn1cc(-c2cc(C(=O)NCc3ccc(F)cc3F)nc3ccccc23)cn1
InChIInChI=1S/C21H16F2N4O/c1-27-12-14(11-25-27)17-9-20(26-19-5-3-2-4-16(17)19)21(28)24-10-13-6-7-15(22)8-18(13)23/h2-9,11-12H,10H2,1H3,(H,24,28)
InChIKeyOZEKYGFTWNLYOT-UHFFFAOYSA-N
XLogP3.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
2-chloro-4-(1-methylpyrazol-4-yl)quinoline
CID 171561069
4-(2-anilinopyrimidin-5-yl)-N-[(2,4-difluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 97361620
N-[(2,4-difluorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 87051416
4-amino-N-[(2,4-difluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 65360048
1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide
CID 168885315
N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121084055
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide
CID 87769035
5-fluoro-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-2-methoxybenzamide
CID 171803712
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62223612
2-(1-aminoethyl)-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3705174

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (CID 171561065) is N-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is Cn1cc(-c2cc(C(=O)NCc3ccc(F)cc3F)nc3ccccc23)cn1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The InChIKey is OZEKYGFTWNLYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O/c1-27-12-14(11-25-27)17-9-20(26-19-5-3-2-4-16(17)19)21(28)24-10-13-6-7-15(22)8-18(13)23/h2-9,11-12H,10H2,1H3,(H,24,28).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
N-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is sourced from PubChem (CID 171561065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).