6,8-difluoro-N-[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]-1,2-dihydroquinazolin-4-amine

C23H18F5N5 — CID 162548999

IUPAC6,8-difluoro-N-[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]-1,2-dihydroquinazolin-4-amine
SMILESFc1cc(F)c2c(c1)C(Nc1nc(-c3ccccc3C(F)(F)F)nc3c1CCCC3)=NCN2
InChIInChI=1S/C23H18F5N5/c24-12-9-15-19(17(25)10-12)29-11-30-20(15)32-22-14-6-2-4-8-18(14)31-21(33-22)13-5-1-3-7-16(13)23(26,27)28/h1,3,5,7,9-10,29H,2,4,6,8,11H2,(H,30,31,32,33)
InChIKeyRMAXIIMFLMANJG-UHFFFAOYSA-N
MW459.42 g/mol
LogP5.56
Rot. Bonds2

About 6,8-difluoro-N-[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]-1,2-dihydroquinazolin-4-amine

6,8-difluoro-N-[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]-1,2-dihydroquinazolin-4-amine (PubChem CID 162548999) has the molecular formula C23H18F5N5 and a molecular weight of 459.42 g/mol. Its IUPAC name is 6,8-difluoro-N-[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]-1,2-dihydroquinazolin-4-amine.

Molecular Properties

Compound Name6,8-difluoro-N-[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]-1,2-dihydroquinazolin-4-amine
PubChem CID162548999
Molecular FormulaC23H18F5N5
Molecular Weight459.42 g/mol
Exact Mass459.15
IUPAC Name6,8-difluoro-N-[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]-1,2-dihydroquinazolin-4-amine
SMILESFc1cc(F)c2c(c1)C(Nc1nc(-c3ccccc3C(F)(F)F)nc3c1CCCC3)=NCN2
InChIInChI=1S/C23H18F5N5/c24-12-9-15-19(17(25)10-12)29-11-30-20(15)32-22-14-6-2-4-8-18(14)31-21(33-22)13-5-1-3-7-16(13)23(26,27)28/h1,3,5,7,9-10,29H,2,4,6,8,11H2,(H,30,31,32,33)
InChIKeyRMAXIIMFLMANJG-UHFFFAOYSA-N
XLogP5.56
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.42
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6,8-difluoro-N-[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]-1,2-dihydroquinazolin-4-amine with MolForge

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Related Compounds

N-(3-ethyl-4-fluoro-3H-isoindol-1-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 142128188
7-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine
CID 10126939
N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine;methane
CID 158343171
N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 20626456
2-(2-chlorophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 10202666
N-[1-[3-fluoro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 142126995
N-(3,6-dimethyl-1,2-dihydropyridin-4-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 162598822
N-(3-ethyl-6-fluoro-3H-isoindol-1-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162548998
6-benzyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 10139778
[2-(2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 62252758
N-ethyl-2-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63485255
N-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 142127517

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-N-[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]-1,2-dihydroquinazolin-4-amine?
The IUPAC name of 6,8-difluoro-N-[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]-1,2-dihydroquinazolin-4-amine (CID 162548999) is 6,8-difluoro-N-[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]-1,2-dihydroquinazolin-4-amine.
What is the SMILES notation for 6,8-difluoro-N-[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]-1,2-dihydroquinazolin-4-amine?
The canonical SMILES for 6,8-difluoro-N-[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]-1,2-dihydroquinazolin-4-amine is Fc1cc(F)c2c(c1)C(Nc1nc(-c3ccccc3C(F)(F)F)nc3c1CCCC3)=NCN2.
What is the InChIKey of 6,8-difluoro-N-[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]-1,2-dihydroquinazolin-4-amine?
The InChIKey is RMAXIIMFLMANJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F5N5/c24-12-9-15-19(17(25)10-12)29-11-30-20(15)32-22-14-6-2-4-8-18(14)31-21(33-22)13-5-1-3-7-16(13)23(26,27)28/h1,3,5,7,9-10,29H,2,4,6,8,11H2,(H,30,31,32,33).
What are the key properties of 6,8-difluoro-N-[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]-1,2-dihydroquinazolin-4-amine?
6,8-difluoro-N-[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]-1,2-dihydroquinazolin-4-amine has a molecular weight of 459.42 g/mol, XLogP of 5.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-N-[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]-1,2-dihydroquinazolin-4-amine is sourced from PubChem (CID 162548999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).