6-(6-chloro-2-methoxy-8-methyl-4-piperidin-1-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine;ethane

C24H29ClF3N5O — CID 163754498

IUPAC6-(6-chloro-2-methoxy-8-methyl-4-piperidin-1-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine;ethane
SMILESCC.COc1nc(N2CCCCC2)c2cc(Cl)c(-c3nc(N)cc(C)c3C(F)(F)F)c(C)c2n1
InChIInChI=1S/C22H23ClF3N5O.C2H6/c1-11-9-15(27)28-19(17(11)22(24,25)26)16-12(2)18-13(10-14(16)23)20(30-21(29-18)32-3)31-7-5-4-6-8-31;1-2/h9-10H,4-8H2,1-3H3,(H2,27,28);1-2H3
InChIKeyLSWCRQQNKMBWFJ-UHFFFAOYSA-N
MW495.98 g/mol
LogP6.59
Rot. Bonds3

About 6-(6-chloro-2-methoxy-8-methyl-4-piperidin-1-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine;ethane

6-(6-chloro-2-methoxy-8-methyl-4-piperidin-1-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine;ethane (PubChem CID 163754498) has the molecular formula C24H29ClF3N5O and a molecular weight of 495.98 g/mol. Its IUPAC name is 6-(6-chloro-2-methoxy-8-methyl-4-piperidin-1-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine;ethane.

Molecular Properties

Compound Name6-(6-chloro-2-methoxy-8-methyl-4-piperidin-1-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine;ethane
PubChem CID163754498
Molecular FormulaC24H29ClF3N5O
Molecular Weight495.98 g/mol
Exact Mass495.20
IUPAC Name6-(6-chloro-2-methoxy-8-methyl-4-piperidin-1-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine;ethane
SMILESCC.COc1nc(N2CCCCC2)c2cc(Cl)c(-c3nc(N)cc(C)c3C(F)(F)F)c(C)c2n1
InChIInChI=1S/C22H23ClF3N5O.C2H6/c1-11-9-15(27)28-19(17(11)22(24,25)26)16-12(2)18-13(10-14(16)23)20(30-21(29-18)32-3)31-7-5-4-6-8-31;1-2/h9-10H,4-8H2,1-3H3,(H2,27,28);1-2H3
InChIKeyLSWCRQQNKMBWFJ-UHFFFAOYSA-N
XLogP6.59
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.98
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Aminoisoquinoline, 12b
CID 44473101
Aminoisoquinoline, 13
CID 44473102
2-(2-chloro-6-methylphenyl)-4-[(3R,4R)-4-methoxy-3-methylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 71244769
US11236068, Example 54
CID 146624813
US11236068, Example 76
CID 146624816
US11236068, Example 8
CID 146624818
US11236068, Example 79a
CID 146624829
US11236068, Example 19
CID 146624830
US11236068, Example 46b
CID 146624832
US11236068, Example 41
CID 146624849
US11236068, Example 51
CID 146624852
US11236068, Example 68a
CID 146624863

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-2-methoxy-8-methyl-4-piperidin-1-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine;ethane?
The IUPAC name of 6-(6-chloro-2-methoxy-8-methyl-4-piperidin-1-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine;ethane (CID 163754498) is 6-(6-chloro-2-methoxy-8-methyl-4-piperidin-1-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine;ethane.
What is the SMILES notation for 6-(6-chloro-2-methoxy-8-methyl-4-piperidin-1-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine;ethane?
The canonical SMILES for 6-(6-chloro-2-methoxy-8-methyl-4-piperidin-1-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine;ethane is CC.COc1nc(N2CCCCC2)c2cc(Cl)c(-c3nc(N)cc(C)c3C(F)(F)F)c(C)c2n1.
What is the InChIKey of 6-(6-chloro-2-methoxy-8-methyl-4-piperidin-1-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine;ethane?
The InChIKey is LSWCRQQNKMBWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF3N5O.C2H6/c1-11-9-15(27)28-19(17(11)22(24,25)26)16-12(2)18-13(10-14(16)23)20(30-21(29-18)32-3)31-7-5-4-6-8-31;1-2/h9-10H,4-8H2,1-3H3,(H2,27,28);1-2H3.
What are the key properties of 6-(6-chloro-2-methoxy-8-methyl-4-piperidin-1-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine;ethane?
6-(6-chloro-2-methoxy-8-methyl-4-piperidin-1-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine;ethane has a molecular weight of 495.98 g/mol, XLogP of 6.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-2-methoxy-8-methyl-4-piperidin-1-ylquinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine;ethane is sourced from PubChem (CID 163754498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).