4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine

C22H24F3N5 — CID 130446919

IUPAC4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCN(C)C1CCC(Nc2ncnc3ccc(-c4cnccc4C(F)(F)F)cc23)CC1
InChIInChI=1S/C22H24F3N5/c1-30(2)16-6-4-15(5-7-16)29-21-17-11-14(3-8-20(17)27-13-28-21)18-12-26-10-9-19(18)22(23,24)25/h3,8-13,15-16H,4-7H2,1-2H3,(H,27,28,29)
InChIKeyWQTPJAVPABXPGI-UHFFFAOYSA-N
MW415.46 g/mol
LogP5.00
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine

4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine (PubChem CID 130446919) has the molecular formula C22H24F3N5 and a molecular weight of 415.46 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine
PubChem CID130446919
Molecular FormulaC22H24F3N5
Molecular Weight415.46 g/mol
Exact Mass415.20
IUPAC Name4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCN(C)C1CCC(Nc2ncnc3ccc(-c4cnccc4C(F)(F)F)cc23)CC1
InChIInChI=1S/C22H24F3N5/c1-30(2)16-6-4-15(5-7-16)29-21-17-11-14(3-8-20(17)27-13-28-21)18-12-26-10-9-19(18)22(23,24)25/h3,8-13,15-16H,4-7H2,1-2H3,(H,27,28,29)
InChIKeyWQTPJAVPABXPGI-UHFFFAOYSA-N
XLogP5.00
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine (CID 130446919) is 4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine is CN(C)C1CCC(Nc2ncnc3ccc(-c4cnccc4C(F)(F)F)cc23)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine?
The InChIKey is WQTPJAVPABXPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5/c1-30(2)16-6-4-15(5-7-16)29-21-17-11-14(3-8-20(17)27-13-28-21)18-12-26-10-9-19(18)22(23,24)25/h3,8-13,15-16H,4-7H2,1-2H3,(H,27,28,29).
What are the key properties of 4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine?
4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine has a molecular weight of 415.46 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[6-[4-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 130446919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).