1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

C19H23F3N4 — CID 126462813

IUPAC1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1nc(N2CCC(NCC(F)(F)F)CC2)nc2cc3c(cc12)CCC3
InChIInChI=1S/C19H23F3N4/c1-12-16-9-13-3-2-4-14(13)10-17(16)25-18(24-12)26-7-5-15(6-8-26)23-11-19(20,21)22/h9-10,15,23H,2-8,11H2,1H3
InChIKeyYWPHVGWHHZZXPL-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.55
Rot. Bonds3

About 1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 126462813) has the molecular formula C19H23F3N4 and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID126462813
Molecular FormulaC19H23F3N4
Molecular Weight364.42 g/mol
Exact Mass364.19
IUPAC Name1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1nc(N2CCC(NCC(F)(F)F)CC2)nc2cc3c(cc12)CCC3
InChIInChI=1S/C19H23F3N4/c1-12-16-9-13-3-2-4-14(13)10-17(16)25-18(24-12)26-7-5-15(6-8-26)23-11-19(20,21)22/h9-10,15,23H,2-8,11H2,1H3
InChIKeyYWPHVGWHHZZXPL-UHFFFAOYSA-N
XLogP3.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of 1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 126462813) is 1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for 1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for 1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is Cc1nc(N2CCC(NCC(F)(F)F)CC2)nc2cc3c(cc12)CCC3.
What is the InChIKey of 1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is YWPHVGWHHZZXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4/c1-12-16-9-13-3-2-4-14(13)10-17(16)25-18(24-12)26-7-5-15(6-8-26)23-11-19(20,21)22/h9-10,15,23H,2-8,11H2,1H3.
What are the key properties of 1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 364.42 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 126462813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).