N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine

C26H28FN5O3 — CID 90337679

IUPACN-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCc2noc(C)c2C1
InChIInChI=1S/C26H28FN5O3/c1-16-11-18(5-6-21(16)27)30-26-19-12-25(24(33-3)13-23(19)28-15-29-26)34-10-4-8-32-9-7-22-20(14-32)17(2)35-31-22/h5-6,11-13,15H,4,7-10,14H2,1-3H3,(H,28,29,30)
InChIKeyPBTDQWZRSGBIPY-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.95
Rot. Bonds8

About N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine

N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine (PubChem CID 90337679) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine
PubChem CID90337679
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC NameN-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCc2noc(C)c2C1
InChIInChI=1S/C26H28FN5O3/c1-16-11-18(5-6-21(16)27)30-26-19-12-25(24(33-3)13-23(19)28-15-29-26)34-10-4-8-32-9-7-22-20(14-32)17(2)35-31-22/h5-6,11-13,15H,4,7-10,14H2,1-3H3,(H,28,29,30)
InChIKeyPBTDQWZRSGBIPY-UHFFFAOYSA-N
XLogP4.95
TPSA85.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine with MolForge

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Related Compounds

N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine
CID 90337684
6-[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 90337678
6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297
6-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]-3,4,4a,5,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-2-one
CID 90337698
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 19077516
4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]morpholin-2-one
CID 118714999
7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 170088513
4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]-1,4-oxazepan-7-one
CID 123993627
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
CID 165053338
6-[3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 90337699
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 167060447
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(6-morpholin-4-ylhexoxy)quinazolin-4-amine
CID 141320482

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine (CID 90337679) is N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine is COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCc2noc(C)c2C1.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine?
The InChIKey is PBTDQWZRSGBIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-16-11-18(5-6-21(16)27)30-26-19-12-25(24(33-3)13-23(19)28-15-29-26)34-10-4-8-32-9-7-22-20(14-32)17(2)35-31-22/h5-6,11-13,15H,4,7-10,14H2,1-3H3,(H,28,29,30).
What are the key properties of N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine?
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine has a molecular weight of 477.54 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)propoxy]quinazolin-4-amine is sourced from PubChem (CID 90337679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).