7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane

C25H30ClFN4O4 — CID 142852302

IUPAC7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane
SMILESCF.COc1cc2c(Nc3ccc(Cl)c(C)c3)ncnc2cc1OC[C@H]1CN2CCOC[C@H]2CO1
InChIInChI=1S/C24H27ClN4O4.CH3F/c1-15-7-16(3-4-20(15)25)28-24-19-8-22(30-2)23(9-21(19)26-14-27-24)33-13-18-10-29-5-6-31-11-17(29)12-32-18;1-2/h3-4,7-9,14,17-18H,5-6,10-13H2,1-2H3,(H,26,27,28);1H3/t17-,18+;/m0./s1
InChIKeyNGFGOKDZTFWQBH-CJRXIRLBSA-N
MW504.99 g/mol
LogP4.41
Rot. Bonds6

About 7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane

7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane (PubChem CID 142852302) has the molecular formula C25H30ClFN4O4 and a molecular weight of 504.99 g/mol. Its IUPAC name is 7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane.

Molecular Properties

Compound Name7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane
PubChem CID142852302
Molecular FormulaC25H30ClFN4O4
Molecular Weight504.99 g/mol
Exact Mass504.19
IUPAC Name7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane
SMILESCF.COc1cc2c(Nc3ccc(Cl)c(C)c3)ncnc2cc1OC[C@H]1CN2CCOC[C@H]2CO1
InChIInChI=1S/C24H27ClN4O4.CH3F/c1-15-7-16(3-4-20(15)25)28-24-19-8-22(30-2)23(9-21(19)26-14-27-24)33-13-18-10-29-5-6-31-11-17(29)12-32-18;1-2/h3-4,7-9,14,17-18H,5-6,10-13H2,1-2H3,(H,26,27,28);1H3/t17-,18+;/m0./s1
InChIKeyNGFGOKDZTFWQBH-CJRXIRLBSA-N
XLogP4.41
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.99
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane with MolForge

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Related Compounds

7-[[(8aR)-1,3,5,6,8,8a-hexahydro-[1,3]thiazolo[4,3-c][1,4]oxazin-6-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine
CID 58013770
7-[[(3S,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-bromo-5-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine;hydrochloride
CID 66838629
7-[[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methoxy]-N-(3,4-dichloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine;hydrochloride
CID 66838545
4-[2-[[4-(4-chloro-3-methylanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,4-oxazepan-4-yl]butan-1-ol
CID 142852291
N-(4-chloro-2-fluorophenyl)-7-[(4-cyclopentylmorpholin-2-yl)methoxy]-6-methoxyquinazolin-4-amine
CID 59779528
N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829
7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 142852402
7-[[4-[diazo(ethylamino)methyl]morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 163576178
N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 70989079
7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 66838511
7-(3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-1-ylmethoxy)-N-(4,5-dichloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 77211319
N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 142674982

Frequently Asked Questions

What is the IUPAC name of 7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane?
The IUPAC name of 7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane (CID 142852302) is 7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane.
What is the SMILES notation for 7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane?
The canonical SMILES for 7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane is CF.COc1cc2c(Nc3ccc(Cl)c(C)c3)ncnc2cc1OC[C@H]1CN2CCOC[C@H]2CO1.
What is the InChIKey of 7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane?
The InChIKey is NGFGOKDZTFWQBH-CJRXIRLBSA-N. The full InChI is InChI=1S/C24H27ClN4O4.CH3F/c1-15-7-16(3-4-20(15)25)28-24-19-8-22(30-2)23(9-21(19)26-14-27-24)33-13-18-10-29-5-6-31-11-17(29)12-32-18;1-2/h3-4,7-9,14,17-18H,5-6,10-13H2,1-2H3,(H,26,27,28);1H3/t17-,18+;/m0./s1.
What are the key properties of 7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane?
7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane has a molecular weight of 504.99 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane is sourced from PubChem (CID 142852302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).