N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide

C26H22N4O2 — CID 167826383

IUPACN-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
SMILESCn1cc(C(O)CNC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)cn1
InChIInChI=1S/C26H22N4O2/c1-30-16-18(14-28-30)25(31)15-27-26(32)22-13-24(29-23-12-5-4-10-21(22)23)20-11-6-8-17-7-2-3-9-19(17)20/h2-14,16,25,31H,15H2,1H3,(H,27,32)
InChIKeyBAIUWARTZSRMIM-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.25
Rot. Bonds5

About N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide (PubChem CID 167826383) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
PubChem CID167826383
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
SMILESCn1cc(C(O)CNC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)cn1
InChIInChI=1S/C26H22N4O2/c1-30-16-18(14-28-30)25(31)15-27-26(32)22-13-24(29-23-12-5-4-10-21(22)23)20-11-6-8-17-7-2-3-9-19(17)20/h2-14,16,25,31H,15H2,1H3,(H,27,32)
InChIKeyBAIUWARTZSRMIM-UHFFFAOYSA-N
XLogP4.25
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-naphthalen-1-ylquinolin-4-yl)ethanone
CID 140742402
N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 24687149
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 39339230
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572
2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 7535347
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518443
2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 42534455
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 139007347
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034
N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 4802439

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide (CID 167826383) is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide is Cn1cc(C(O)CNC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)cn1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide?
The InChIKey is BAIUWARTZSRMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-30-16-18(14-28-30)25(31)15-27-26(32)22-13-24(29-23-12-5-4-10-21(22)23)20-11-6-8-17-7-2-3-9-19(17)20/h2-14,16,25,31H,15H2,1H3,(H,27,32).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide?
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide is sourced from PubChem (CID 167826383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).