N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide

C23H24F3N5O2 — CID 68627529

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc3c2)CC1
InChIInChI=1S/C23H24F3N5O2/c1-30-11-9-17(10-12-30)31(2)22(32)15-3-8-19-20(13-15)27-14-28-21(19)29-16-4-6-18(7-5-16)33-23(24,25)26/h3-8,13-14,17H,9-12H2,1-2H3,(H,27,28,29)
InChIKeyKJIOPADPPQNDLS-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.44
Rot. Bonds5

About N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide

N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide (PubChem CID 68627529) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide
PubChem CID68627529
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc3c2)CC1
InChIInChI=1S/C23H24F3N5O2/c1-30-11-9-17(10-12-30)31(2)22(32)15-3-8-19-20(13-15)27-14-28-21(19)29-16-4-6-18(7-5-16)33-23(24,25)26/h3-8,13-14,17H,9-12H2,1-2H3,(H,27,28,29)
InChIKeyKJIOPADPPQNDLS-UHFFFAOYSA-N
XLogP4.44
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide (CID 68627529) is N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide is CN1CCC(N(C)C(=O)c2ccc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc3c2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide?
The InChIKey is KJIOPADPPQNDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c1-30-11-9-17(10-12-30)31(2)22(32)15-3-8-19-20(13-15)27-14-28-21(19)29-16-4-6-18(7-5-16)33-23(24,25)26/h3-8,13-14,17H,9-12H2,1-2H3,(H,27,28,29).
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide?
N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide is sourced from PubChem (CID 68627529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).