6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline

C24H20F3N3O — CID 123686536

IUPAC6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline
SMILESCCOc1ncc(-c2ccc3ncnc(-c4cccc(CC)c4)c3c2)cc1C(F)(F)F
InChIInChI=1S/C24H20F3N3O/c1-3-15-6-5-7-17(10-15)22-19-11-16(8-9-21(19)29-14-30-22)18-12-20(24(25,26)27)23(28-13-18)31-4-2/h5-14H,3-4H2,1-2H3
InChIKeySMHUXXBBSSOJFX-UHFFFAOYSA-N
MW423.44 g/mol
LogP6.34
Rot. Bonds5

About 6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline

6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline (PubChem CID 123686536) has the molecular formula C24H20F3N3O and a molecular weight of 423.44 g/mol. Its IUPAC name is 6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline.

Molecular Properties

Compound Name6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline
PubChem CID123686536
Molecular FormulaC24H20F3N3O
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC Name6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline
SMILESCCOc1ncc(-c2ccc3ncnc(-c4cccc(CC)c4)c3c2)cc1C(F)(F)F
InChIInChI=1S/C24H20F3N3O/c1-3-15-6-5-7-17(10-15)22-19-11-16(8-9-21(19)29-14-30-22)18-12-20(24(25,26)27)23(28-13-18)31-4-2/h5-14H,3-4H2,1-2H3
InChIKeySMHUXXBBSSOJFX-UHFFFAOYSA-N
XLogP6.34
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.44
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone
CID 123479114
2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid
CID 167442844
4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide
CID 25057485
(3-ethylpiperazin-1-yl)-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]methanone
CID 123637401
6-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)quinazoline
CID 25054919
3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine
CID 174511445
N-[[3-[4-(diethylamino)quinazolin-6-yl]phenyl]methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 68946581
4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline
CID 66616189
1-[4-[3-[6-(6-methoxy-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl)quinazolin-4-yl]benzoyl]piperazin-1-yl]ethanone
CID 71550829
4-(3-bromophenyl)-6,7-diethoxyquinazoline
CID 22663169
N,3-dimethyl-5-(4-phenylquinazolin-6-yl)pyridin-2-amine
CID 141364051
6-(3,4-dimethoxyphenyl)-4-phenylquinazoline
CID 25054917

Frequently Asked Questions

What is the IUPAC name of 6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline?
The IUPAC name of 6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline (CID 123686536) is 6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline.
What is the SMILES notation for 6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline?
The canonical SMILES for 6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline is CCOc1ncc(-c2ccc3ncnc(-c4cccc(CC)c4)c3c2)cc1C(F)(F)F.
What is the InChIKey of 6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline?
The InChIKey is SMHUXXBBSSOJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O/c1-3-15-6-5-7-17(10-15)22-19-11-16(8-9-21(19)29-14-30-22)18-12-20(24(25,26)27)23(28-13-18)31-4-2/h5-14H,3-4H2,1-2H3.
What are the key properties of 6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline?
6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline has a molecular weight of 423.44 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline is sourced from PubChem (CID 123686536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).