7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C24H26FN3O4 — CID 176895351

IUPAC7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCOc1ccc(C2CCc3c(ncnc3Nc3cc(OC)c(OC)c(OC)c3)C2)cc1F
InChIInChI=1S/C24H26FN3O4/c1-29-20-8-6-14(9-18(20)25)15-5-7-17-19(10-15)26-13-27-24(17)28-16-11-21(30-2)23(32-4)22(12-16)31-3/h6,8-9,11-13,15H,5,7,10H2,1-4H3,(H,26,27,28)
InChIKeyRKXDVKSITYTNDA-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.67
Rot. Bonds7

About 7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine

7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 176895351) has the molecular formula C24H26FN3O4 and a molecular weight of 439.49 g/mol. Its IUPAC name is 7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID176895351
Molecular FormulaC24H26FN3O4
Molecular Weight439.49 g/mol
Exact Mass439.19
IUPAC Name7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCOc1ccc(C2CCc3c(ncnc3Nc3cc(OC)c(OC)c(OC)c3)C2)cc1F
InChIInChI=1S/C24H26FN3O4/c1-29-20-8-6-14(9-18(20)25)15-5-7-17-19(10-15)26-13-27-24(17)28-16-11-21(30-2)23(32-4)22(12-16)31-3/h6,8-9,11-13,15H,5,7,10H2,1-4H3,(H,26,27,28)
InChIKeyRKXDVKSITYTNDA-UHFFFAOYSA-N
XLogP4.67
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

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Related Compounds

2-N-(2,3-dihydro-1H-inden-1-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536734
[3-(3-fluoro-4-methoxyphenyl)cyclopentyl] 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
CID 155959123
6-N-(3,4-difluorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 112867113
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
7-(3-chloro-4-nitrophenyl)-N-(3-fluoro-4-methoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 129179513
2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
CID 18344262
N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 59722522
6-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 155537576
2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80986122
N-[(3-fluoro-4-methoxyphenyl)methyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796778
N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide
CID 154879757
3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol
CID 64516764

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 176895351) is 7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine is COc1ccc(C2CCc3c(ncnc3Nc3cc(OC)c(OC)c(OC)c3)C2)cc1F.
What is the InChIKey of 7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is RKXDVKSITYTNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4/c1-29-20-8-6-14(9-18(20)25)15-5-7-17-19(10-15)26-13-27-24(17)28-16-11-21(30-2)23(32-4)22(12-16)31-3/h6,8-9,11-13,15H,5,7,10H2,1-4H3,(H,26,27,28).
What are the key properties of 7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 439.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 176895351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).