N-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine

C32H29FN4O5S — CID 71663311

IUPACN-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
SMILESCOc1cc(Nc2ncnc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc23)ccc1OCc1cccc(F)c1
InChIInChI=1S/C32H29FN4O5S/c1-40-31-19-26(8-12-30(31)42-20-22-3-2-4-25(33)17-22)36-32-28-18-24(7-11-29(28)34-21-35-32)23-5-9-27(10-6-23)43(38,39)37-13-15-41-16-14-37/h2-12,17-19,21H,13-16,20H2,1H3,(H,34,35,36)
InChIKeyDXKJOOVUILYUBE-UHFFFAOYSA-N
MW600.67 g/mol
LogP5.79
Rot. Bonds9

About N-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine

N-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine (PubChem CID 71663311) has the molecular formula C32H29FN4O5S and a molecular weight of 600.67 g/mol. Its IUPAC name is N-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
PubChem CID71663311
Molecular FormulaC32H29FN4O5S
Molecular Weight600.67 g/mol
Exact Mass600.18
IUPAC NameN-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
SMILESCOc1cc(Nc2ncnc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc23)ccc1OCc1cccc(F)c1
InChIInChI=1S/C32H29FN4O5S/c1-40-31-19-26(8-12-30(31)42-20-22-3-2-4-25(33)17-22)36-32-28-18-24(7-11-29(28)34-21-35-32)23-5-9-27(10-6-23)43(38,39)37-13-15-41-16-14-37/h2-12,17-19,21H,13-16,20H2,1H3,(H,34,35,36)
InChIKeyDXKJOOVUILYUBE-UHFFFAOYSA-N
XLogP5.79
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.67
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-amine
CID 71662405
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-methylsulfonylphenyl)quinazolin-4-amine
CID 71662570
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine
CID 71663312
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-2-pyridinyl)quinazolin-4-amine
CID 132561244
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-ethylphenyl)quinazolin-4-amine;ethane
CID 171539522
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 24737854
[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]-3H-furan-2-ylidene]methyl methanesulfonate
CID 87399388
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[1-(1-morpholin-4-ylethoxy)aziridin-2-yl]quinazolin-4-amine
CID 87560850
N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]-3-[(2-morpholin-4-ylacetyl)amino]propanamide
CID 11657235
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[1-(oxetan-2-ylmethyl)pyrrol-3-yl]quinazolin-4-amine
CID 143748620
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(1S)-2-methylsulfonyl-1-(propylamino)ethyl]furan-2-yl]quinazolin-4-amine
CID 46865123
5-[4-[4-[(3-fluorophenyl)methoxy]-3-methylanilino]quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide
CID 143805213

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine?
The IUPAC name of N-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine (CID 71663311) is N-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine.
What is the SMILES notation for N-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine?
The canonical SMILES for N-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine is COc1cc(Nc2ncnc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc23)ccc1OCc1cccc(F)c1.
What is the InChIKey of N-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine?
The InChIKey is DXKJOOVUILYUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN4O5S/c1-40-31-19-26(8-12-30(31)42-20-22-3-2-4-25(33)17-22)36-32-28-18-24(7-11-29(28)34-21-35-32)23-5-9-27(10-6-23)43(38,39)37-13-15-41-16-14-37/h2-12,17-19,21H,13-16,20H2,1H3,(H,34,35,36).
What are the key properties of N-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine?
N-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine has a molecular weight of 600.67 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine is sourced from PubChem (CID 71663311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).