4-methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclohexan-1-ol

C18H24N2O — CID 46336028

IUPAC4-methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclohexan-1-ol
SMILESCC1CCC(O)(C2CCN3Cc4ccccc4N=C23)CC1
InChIInChI=1S/C18H24N2O/c1-13-6-9-18(21,10-7-13)15-8-11-20-12-14-4-2-3-5-16(14)19-17(15)20/h2-5,13,15,21H,6-12H2,1H3
InChIKeyOFZOGRRCGUQNLZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.49
Rot. Bonds1

About 4-methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclohexan-1-ol

4-methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclohexan-1-ol (PubChem CID 46336028) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclohexan-1-ol
PubChem CID46336028
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclohexan-1-ol
SMILESCC1CCC(O)(C2CCN3Cc4ccccc4N=C23)CC1
InChIInChI=1S/C18H24N2O/c1-13-6-9-18(21,10-7-13)15-8-11-20-12-14-4-2-3-5-16(14)19-17(15)20/h2-5,13,15,21H,6-12H2,1H3
InChIKeyOFZOGRRCGUQNLZ-UHFFFAOYSA-N
XLogP3.49
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclohexan-1-ol (CID 46336028) is 4-methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclohexan-1-ol is CC1CCC(O)(C2CCN3Cc4ccccc4N=C23)CC1.
What is the InChIKey of 4-methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclohexan-1-ol?
The InChIKey is OFZOGRRCGUQNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-6-9-18(21,10-7-13)15-8-11-20-12-14-4-2-3-5-16(14)19-17(15)20/h2-5,13,15,21H,6-12H2,1H3.
What are the key properties of 4-methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclohexan-1-ol?
4-methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclohexan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 46336028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).