N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine

C18H13F6N3 — CID 18685602

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine
SMILESCc1cc2ncnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2cc1C
InChIInChI=1S/C18H13F6N3/c1-9-3-14-15(4-10(9)2)25-8-26-16(14)27-13-6-11(17(19,20)21)5-12(7-13)18(22,23)24/h3-8H,1-2H3,(H,25,26,27)
InChIKeyMDVBLEUXRQOLPX-UHFFFAOYSA-N
MW385.31 g/mol
LogP6.03
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine

N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine (PubChem CID 18685602) has the molecular formula C18H13F6N3 and a molecular weight of 385.31 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine
PubChem CID18685602
Molecular FormulaC18H13F6N3
Molecular Weight385.31 g/mol
Exact Mass385.10
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine
SMILESCc1cc2ncnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2cc1C
InChIInChI=1S/C18H13F6N3/c1-9-3-14-15(4-10(9)2)25-8-26-16(14)27-13-6-11(17(19,20)21)5-12(7-13)18(22,23)24/h3-8H,1-2H3,(H,25,26,27)
InChIKeyMDVBLEUXRQOLPX-UHFFFAOYSA-N
XLogP6.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.31
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Spautin-1
CID 51037431
Ngd-8243
CID 11247522
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-(3-bromophenyl)benzo[g]quinazolin-4-amine
CID 5328245
Senexin A
CID 56927063
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
N~2~-(3,4-dimethylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2975866
6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
CID 5288016
5-Methyl-6-phenylquinazoline-2,4-diamine
CID 25271556
N-(2-phenylethyl)quinazolin-4-amine
CID 198909
4-Anilinoquinazoline
CID 324081
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine (CID 18685602) is N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine is Cc1cc2ncnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2cc1C.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine?
The InChIKey is MDVBLEUXRQOLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F6N3/c1-9-3-14-15(4-10(9)2)25-8-26-16(14)27-13-6-11(17(19,20)21)5-12(7-13)18(22,23)24/h3-8H,1-2H3,(H,25,26,27).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine?
N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine has a molecular weight of 385.31 g/mol, XLogP of 6.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethylquinazolin-4-amine is sourced from PubChem (CID 18685602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).