6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine

C25H28N6O2 — CID 70214730

IUPAC6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cc(-c4ccccc4)[nH]n3)ncnc2cc1OC(C)C1CCNCC1
InChIInChI=1S/C25H28N6O2/c1-16(17-8-10-26-11-9-17)33-23-13-21-19(12-22(23)32-2)25(28-15-27-21)29-24-14-20(30-31-24)18-6-4-3-5-7-18/h3-7,12-17,26H,8-11H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyQUTSNWOSLZVAMR-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.54
Rot. Bonds7

About 6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine

6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine (PubChem CID 70214730) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine
PubChem CID70214730
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cc(-c4ccccc4)[nH]n3)ncnc2cc1OC(C)C1CCNCC1
InChIInChI=1S/C25H28N6O2/c1-16(17-8-10-26-11-9-17)33-23-13-21-19(12-22(23)32-2)25(28-15-27-21)29-24-14-20(30-31-24)18-6-4-3-5-7-18/h3-7,12-17,26H,8-11H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyQUTSNWOSLZVAMR-UHFFFAOYSA-N
XLogP4.54
TPSA96.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine with MolForge

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Related Compounds

N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine
CID 67314954
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine
CID 66874998
7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine
CID 69197419
N-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 54337725
tert-butyl 2-[[(2,6-dimethylanilino)-[[6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-yl]amino]methylidene]amino]acetate
CID 91465029
4-[1-(2-methoxyphenoxy)ethyl]piperidine
CID 105496691
6-(azetidin-3-yloxy)-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 141221554
N-[4-(3-bromoanilino)-7-(1-piperidin-4-ylethoxy)quinazolin-6-yl]-2-fluoroprop-2-enamide
CID 90282676
6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine
CID 18788999
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride
CID 68906665
N-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 67730103

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine?
The IUPAC name of 6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine (CID 70214730) is 6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine.
What is the SMILES notation for 6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine?
The canonical SMILES for 6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine is COc1cc2c(Nc3cc(-c4ccccc4)[nH]n3)ncnc2cc1OC(C)C1CCNCC1.
What is the InChIKey of 6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine?
The InChIKey is QUTSNWOSLZVAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-16(17-8-10-26-11-9-17)33-23-13-21-19(12-22(23)32-2)25(28-15-27-21)29-24-14-20(30-31-24)18-6-4-3-5-7-18/h3-7,12-17,26H,8-11H2,1-2H3,(H2,27,28,29,30,31).
What are the key properties of 6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine?
6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine has a molecular weight of 444.54 g/mol, XLogP of 4.54, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine is sourced from PubChem (CID 70214730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).