N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine

C21H20F4N4O3 — CID 142675021

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c(C(F)(F)F)c3)c2cc1OCC1CNCCO1
InChIInChI=1S/C21H20F4N4O3/c1-30-18-8-17-14(7-19(18)32-10-13-9-26-4-5-31-13)20(28-11-27-17)29-12-2-3-16(22)15(6-12)21(23,24)25/h2-3,6-8,11,13,26H,4-5,9-10H2,1H3,(H,27,28,29)
InChIKeyGNKFNRXHVIFDNY-UHFFFAOYSA-N
MW452.41 g/mol
LogP3.91
Rot. Bonds6

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine

N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine (PubChem CID 142675021) has the molecular formula C21H20F4N4O3 and a molecular weight of 452.41 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
PubChem CID142675021
Molecular FormulaC21H20F4N4O3
Molecular Weight452.41 g/mol
Exact Mass452.15
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c(C(F)(F)F)c3)c2cc1OCC1CNCCO1
InChIInChI=1S/C21H20F4N4O3/c1-30-18-8-17-14(7-19(18)32-10-13-9-26-4-5-31-13)20(28-11-27-17)29-12-2-3-16(22)15(6-12)21(23,24)25/h2-3,6-8,11,13,26H,4-5,9-10H2,1H3,(H,27,28,29)
InChIKeyGNKFNRXHVIFDNY-UHFFFAOYSA-N
XLogP3.91
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine with MolForge

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Related Compounds

N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 142674982
7-methoxy-6-(morpholin-2-ylmethoxy)-N-(4-propylphenyl)quinazolin-4-amine
CID 142675011
N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 70989079
N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829
(2R,3R,4R,5R)-2-fluoro-5-[4-[4-fluoro-3-(trifluoromethyl)anilino]-6-methoxyquinazolin-7-yl]oxyhexane-1,3,4,6-tetrol
CID 140867591
6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 44523346
4-fluoro-3-[[6-methoxy-7-(oxolan-2-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol
CID 118112194
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
CID 165053338
6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297
6-(2-bromoethoxy)-N-(3-chloro-4-fluorophenyl)-7-(oxolan-2-ylmethoxy)quinazolin-4-amine
CID 18762794
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 142852402

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine (CID 142675021) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine is COc1cc2ncnc(Nc3ccc(F)c(C(F)(F)F)c3)c2cc1OCC1CNCCO1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine?
The InChIKey is GNKFNRXHVIFDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N4O3/c1-30-18-8-17-14(7-19(18)32-10-13-9-26-4-5-31-13)20(28-11-27-17)29-12-2-3-16(22)15(6-12)21(23,24)25/h2-3,6-8,11,13,26H,4-5,9-10H2,1H3,(H,27,28,29).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine has a molecular weight of 452.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine is sourced from PubChem (CID 142675021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).