N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine

C23H27FN4O2 — CID 67314954

IUPACN-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OC(C)C1CCNCC1
InChIInChI=1S/C23H27FN4O2/c1-14-4-5-19(18(24)10-14)28-23-17-11-21(29-3)22(12-20(17)26-13-27-23)30-15(2)16-6-8-25-9-7-16/h4-5,10-13,15-16,25H,6-9H2,1-3H3,(H,26,27,28)
InChIKeyJOTAEHCILSZODU-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.60
Rot. Bonds6

About N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine

N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine (PubChem CID 67314954) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine
PubChem CID67314954
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC NameN-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OC(C)C1CCNCC1
InChIInChI=1S/C23H27FN4O2/c1-14-4-5-19(18(24)10-14)28-23-17-11-21(29-3)22(12-20(17)26-13-27-23)30-15(2)16-6-8-25-9-7-16/h4-5,10-13,15-16,25H,6-9H2,1-3H3,(H,26,27,28)
InChIKeyJOTAEHCILSZODU-UHFFFAOYSA-N
XLogP4.60
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine
CID 66874998
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride
CID 68906665
6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine
CID 70214730
3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide
CID 130310905
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-2-amine
CID 68746368
N-(3,4-dichloro-2-fluorophenyl)-7-(difluoromethoxy)-6-piperidin-4-yloxyquinazolin-4-amine
CID 155669690
N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 122628529
6-[[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]oxy]-N-(3-chloro-2,4-difluorophenyl)-7-methoxyquinazolin-4-amine
CID 174819906
6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane
CID 170967439
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 158046171
N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine (CID 67314954) is N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine is COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OC(C)C1CCNCC1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine?
The InChIKey is JOTAEHCILSZODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-14-4-5-19(18(24)10-14)28-23-17-11-21(29-3)22(12-20(17)26-13-27-23)30-15(2)16-6-8-25-9-7-16/h4-5,10-13,15-16,25H,6-9H2,1-3H3,(H,26,27,28).
What are the key properties of N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine?
N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine has a molecular weight of 410.49 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine is sourced from PubChem (CID 67314954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).