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

C26H32N4O — CID 126462955

IUPAC2-[methyl-[1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-4-yl]amino]-1-phenylethanol
SMILESCc1nc(N2CCC(N(C)CC(O)c3ccccc3)CC2)nc2cc3c(cc12)CCC3
InChIInChI=1S/C26H32N4O/c1-18-23-15-20-9-6-10-21(20)16-24(23)28-26(27-18)30-13-11-22(12-14-30)29(2)17-25(31)19-7-4-3-5-8-19/h3-5,7-8,15-16,22,25,31H,6,9-14,17H2,1-2H3
InChIKeyUGLFMBCHLWNWSP-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.06
Rot. Bonds5

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

2-[methyl-[1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-4-yl]amino]-1-phenylethanol (PubChem CID 126462955) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[methyl-[1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-4-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[methyl-[1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-4-yl]amino]-1-phenylethanol
PubChem CID126462955
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name2-[methyl-[1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-4-yl]amino]-1-phenylethanol
SMILESCc1nc(N2CCC(N(C)CC(O)c3ccccc3)CC2)nc2cc3c(cc12)CCC3
InChIInChI=1S/C26H32N4O/c1-18-23-15-20-9-6-10-21(20)16-24(23)28-26(27-18)30-13-11-22(12-14-30)29(2)17-25(31)19-7-4-3-5-8-19/h3-5,7-8,15-16,22,25,31H,6,9-14,17H2,1-2H3
InChIKeyUGLFMBCHLWNWSP-UHFFFAOYSA-N
XLogP4.06
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-4-yl]amino]-1-phenylethanol?
The IUPAC name of 2-[methyl-[1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-4-yl]amino]-1-phenylethanol (CID 126462955) is 2-[methyl-[1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-4-yl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[methyl-[1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-4-yl]amino]-1-phenylethanol?
The canonical SMILES for 2-[methyl-[1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-4-yl]amino]-1-phenylethanol is Cc1nc(N2CCC(N(C)CC(O)c3ccccc3)CC2)nc2cc3c(cc12)CCC3.
What is the InChIKey of 2-[methyl-[1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-4-yl]amino]-1-phenylethanol?
The InChIKey is UGLFMBCHLWNWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-18-23-15-20-9-6-10-21(20)16-24(23)28-26(27-18)30-13-11-22(12-14-30)29(2)17-25(31)19-7-4-3-5-8-19/h3-5,7-8,15-16,22,25,31H,6,9-14,17H2,1-2H3.
What are the key properties of 2-[methyl-[1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-4-yl]amino]-1-phenylethanol?
2-[methyl-[1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-4-yl]amino]-1-phenylethanol has a molecular weight of 416.57 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinazolin-2-yl)piperidin-4-yl]amino]-1-phenylethanol is sourced from PubChem (CID 126462955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).