N-(4-fluorophenyl)formamide;1-methylcyclopropane-1-carbaldehyde;N-methyl-4-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinolin-4-yl]oxyaniline

About N-(4-fluorophenyl)formamide;1-methylcyclopropane-1-carbaldehyde;N-methyl-4-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinolin-4-yl]oxyaniline

N-(4-fluorophenyl)formamide;1-methylcyclopropane-1-carbaldehyde;N-methyl-4-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinolin-4-yl]oxyaniline (PubChem CID 155735306) has the molecular formula C37H41FN6O3 and a molecular weight of 636.77 g/mol. Its IUPAC name is N-(4-fluorophenyl)formamide;1-methylcyclopropane-1-carbaldehyde;N-methyl-4-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinolin-4-yl]oxyaniline.

Molecular Properties

Compound Name	N-(4-fluorophenyl)formamide;1-methylcyclopropane-1-carbaldehyde;N-methyl-4-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinolin-4-yl]oxyaniline
PubChem CID	155735306
Molecular Formula	C37H41FN6O3
Molecular Weight	636.77 g/mol
Exact Mass	636.32
IUPAC Name	N-(4-fluorophenyl)formamide;1-methylcyclopropane-1-carbaldehyde;N-methyl-4-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinolin-4-yl]oxyaniline
SMILES	CC1(C=O)CC1.CNc1ccc(Oc2ccnc3cc(-c4cnn(C5CCN(C)CC5)c4)ccc23)cc1.O=CNc1ccc(F)cc1
InChI	InChI=1S/C25H27N5O.C7H6FNO.C5H8O/c1-26-20-4-6-22(7-5-20)31-25-9-12-27-24-15-18(3-8-23(24)25)19-16-28-30(17-19)21-10-13-29(2)14-11-21;8-6-1-3-7(4-2-6)9-5-10;1-5(4-6)2-3-5/h3-9,12,15-17,21,26H,10-11,13-14H2,1-2H3;1-5H,(H,9,10);4H,2-3H2,1H3
InChIKey	VDCRNBWGESZXBZ-UHFFFAOYSA-N
XLogP	7.58
TPSA	101.38 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	8
Heavy Atoms	47
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.77
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)formamide;1-methylcyclopropane-1-carbaldehyde;N-methyl-4-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinolin-4-yl]oxyaniline?

The IUPAC name of N-(4-fluorophenyl)formamide;1-methylcyclopropane-1-carbaldehyde;N-methyl-4-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinolin-4-yl]oxyaniline (CID 155735306) is N-(4-fluorophenyl)formamide;1-methylcyclopropane-1-carbaldehyde;N-methyl-4-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinolin-4-yl]oxyaniline.

What is the SMILES notation for N-(4-fluorophenyl)formamide;1-methylcyclopropane-1-carbaldehyde;N-methyl-4-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinolin-4-yl]oxyaniline?

The canonical SMILES for N-(4-fluorophenyl)formamide;1-methylcyclopropane-1-carbaldehyde;N-methyl-4-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinolin-4-yl]oxyaniline is CC1(C=O)CC1.CNc1ccc(Oc2ccnc3cc(-c4cnn(C5CCN(C)CC5)c4)ccc23)cc1.O=CNc1ccc(F)cc1.

What is the InChIKey of N-(4-fluorophenyl)formamide;1-methylcyclopropane-1-carbaldehyde;N-methyl-4-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinolin-4-yl]oxyaniline?

The InChIKey is VDCRNBWGESZXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O.C7H6FNO.C5H8O/c1-26-20-4-6-22(7-5-20)31-25-9-12-27-24-15-18(3-8-23(24)25)19-16-28-30(17-19)21-10-13-29(2)14-11-21;8-6-1-3-7(4-2-6)9-5-10;1-5(4-6)2-3-5/h3-9,12,15-17,21,26H,10-11,13-14H2,1-2H3;1-5H,(H,9,10);4H,2-3H2,1H3.

What are the key properties of N-(4-fluorophenyl)formamide;1-methylcyclopropane-1-carbaldehyde;N-methyl-4-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinolin-4-yl]oxyaniline?

N-(4-fluorophenyl)formamide;1-methylcyclopropane-1-carbaldehyde;N-methyl-4-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinolin-4-yl]oxyaniline has a molecular weight of 636.77 g/mol, XLogP of 7.58, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)formamide;1-methylcyclopropane-1-carbaldehyde;N-methyl-4-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinolin-4-yl]oxyaniline is sourced from PubChem (CID 155735306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).