N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine

C20H22F2N4O2 — CID 19077494

IUPACN-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)cc3F)c2cc1OCCCN(C)C
InChIInChI=1S/C20H22F2N4O2/c1-26(2)7-4-8-28-19-10-14-17(11-18(19)27-3)23-12-24-20(14)25-16-6-5-13(21)9-15(16)22/h5-6,9-12H,4,7-8H2,1-3H3,(H,23,24,25)
InChIKeyJUBFKEWLPTXFBA-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.99
Rot. Bonds8

About N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine

N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine (PubChem CID 19077494) has the molecular formula C20H22F2N4O2 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
PubChem CID19077494
Molecular FormulaC20H22F2N4O2
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)cc3F)c2cc1OCCCN(C)C
InChIInChI=1S/C20H22F2N4O2/c1-26(2)7-4-8-28-19-10-14-17(11-18(19)27-3)23-12-24-20(14)25-16-6-5-13(21)9-15(16)22/h5-6,9-12H,4,7-8H2,1-3H3,(H,23,24,25)
InChIKeyJUBFKEWLPTXFBA-UHFFFAOYSA-N
XLogP3.99
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-fluorophenyl)-7-butoxy-6-methoxyquinazolin-4-amine;N,N-dimethylmethanamine
CID 157222571
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322
N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine
CID 19077498
3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide
CID 130310905
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl(pyridin-4-yl)amino]ethoxy]quinazolin-4-amine
CID 5329026
N-(4-chloro-2-fluorophenyl)-7-[2-[(2,6-dimethyl-4-pyridinyl)-methylamino]ethoxy]-6-methoxyquinazolin-4-amine
CID 22624991
1-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]-3-(2,4-difluorophenyl)urea
CID 129010604
N-(4-chloro-2-fluorophenyl)-7-(2-ethylsulfonylethoxy)-6-methoxyquinazolin-4-amine
CID 18753444
5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane
CID 145016655
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl-(6-methylpyrimidin-4-yl)amino]ethoxy]quinazolin-4-amine;hydrochloride
CID 22624940
7-[3-(dimethylamino)propoxy]-N-[4-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]-6-methoxyquinazolin-4-amine
CID 91368379

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine?
The IUPAC name of N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine (CID 19077494) is N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine is COc1cc2ncnc(Nc3ccc(F)cc3F)c2cc1OCCCN(C)C.
What is the InChIKey of N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine?
The InChIKey is JUBFKEWLPTXFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O2/c1-26(2)7-4-8-28-19-10-14-17(11-18(19)27-3)23-12-24-20(14)25-16-6-5-13(21)9-15(16)22/h5-6,9-12H,4,7-8H2,1-3H3,(H,23,24,25).
What are the key properties of N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine?
N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine has a molecular weight of 388.42 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-[3-(dimethylamino)propoxy]-7-methoxyquinazolin-4-amine is sourced from PubChem (CID 19077494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).