6-fluoro-8-(2-methoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine

C23H23FN6O — CID 126495669

IUPAC6-fluoro-8-(2-methoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine
SMILESCOc1ccccc1-c1cc(F)cc2cnc(Nc3cnn(C4CCNCC4)c3)nc12
InChIInChI=1S/C23H23FN6O/c1-31-21-5-3-2-4-19(21)20-11-16(24)10-15-12-26-23(29-22(15)20)28-17-13-27-30(14-17)18-6-8-25-9-7-18/h2-5,10-14,18,25H,6-9H2,1H3,(H,26,28,29)
InChIKeyFBDQGYDIIVMMEL-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.31
Rot. Bonds5

About 6-fluoro-8-(2-methoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine

6-fluoro-8-(2-methoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine (PubChem CID 126495669) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 6-fluoro-8-(2-methoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine.

Molecular Properties

Compound Name6-fluoro-8-(2-methoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine
PubChem CID126495669
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name6-fluoro-8-(2-methoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine
SMILESCOc1ccccc1-c1cc(F)cc2cnc(Nc3cnn(C4CCNCC4)c3)nc12
InChIInChI=1S/C23H23FN6O/c1-31-21-5-3-2-4-19(21)20-11-16(24)10-15-12-26-23(29-22(15)20)28-17-13-27-30(14-17)18-6-8-25-9-7-18/h2-5,10-14,18,25H,6-9H2,1H3,(H,26,28,29)
InChIKeyFBDQGYDIIVMMEL-UHFFFAOYSA-N
XLogP4.31
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-Aminoquinazoline 20
CID 5330318
N8-[(2S)-3,3-dimethylbutan-2-yl]-N2-[2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386882
N2-(2-Methoxy-4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl)-N8-Neopentylpyrido[3,4-D]pyrimidine-2,8-Diamine
CID 73387064
4-[8-Methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol
CID 162423119
2-Aminoquinazoline 8
CID 5330307
2-Aminoquinazoline 11
CID 5330310
2-Aminoquinazoline 12
CID 5330311
2-Aminoquinazoline 21
CID 5330319
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
2-(4-tert-Butyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 18536613

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-(2-methoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine?
The IUPAC name of 6-fluoro-8-(2-methoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine (CID 126495669) is 6-fluoro-8-(2-methoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine.
What is the SMILES notation for 6-fluoro-8-(2-methoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine?
The canonical SMILES for 6-fluoro-8-(2-methoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine is COc1ccccc1-c1cc(F)cc2cnc(Nc3cnn(C4CCNCC4)c3)nc12.
What is the InChIKey of 6-fluoro-8-(2-methoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine?
The InChIKey is FBDQGYDIIVMMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-31-21-5-3-2-4-19(21)20-11-16(24)10-15-12-26-23(29-22(15)20)28-17-13-27-30(14-17)18-6-8-25-9-7-18/h2-5,10-14,18,25H,6-9H2,1H3,(H,26,28,29).
What are the key properties of 6-fluoro-8-(2-methoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine?
6-fluoro-8-(2-methoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine has a molecular weight of 418.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-(2-methoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-2-amine is sourced from PubChem (CID 126495669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).