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

C20H29N3O — CID 46336027

IUPAC1-butyl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol
SMILESCCCCN1CCC(O)(C2CCN3Cc4ccccc4N=C23)CC1
InChIInChI=1S/C20H29N3O/c1-2-3-11-22-13-9-20(24,10-14-22)17-8-12-23-15-16-6-4-5-7-18(16)21-19(17)23/h4-7,17,24H,2-3,8-15H2,1H3
InChIKeyZGNMONRAEZXPEX-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.18
Rot. Bonds4

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

1-butyl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol (PubChem CID 46336027) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-butyl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-butyl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol
PubChem CID46336027
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name1-butyl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol
SMILESCCCCN1CCC(O)(C2CCN3Cc4ccccc4N=C23)CC1
InChIInChI=1S/C20H29N3O/c1-2-3-11-22-13-9-20(24,10-14-22)17-8-12-23-15-16-6-4-5-7-18(16)21-19(17)23/h4-7,17,24H,2-3,8-15H2,1H3
InChIKeyZGNMONRAEZXPEX-UHFFFAOYSA-N
XLogP3.18
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-butyl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol with MolForge

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Related Compounds

(-)-Vasicine
CID 667496
Peganine
CID 442929
1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazolin-3-ol
CID 72610
Vasicine hydrochloride
CID 197084
Vasicine, hydrochloride
CID 23448499
Desoxypeganine Hydrochloride Hydrate
CID 71458725
(3R)-9-methylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-ol
CID 162985110
(+/-)-2-Methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)propan-1-ol
CID 129882103
Vasicine hydriodide
CID 86278122
1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazoline hydrochloride dihydrate
CID 20787488
1-Propan-2-yl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol
CID 46336026
4-Methyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclohexan-1-ol
CID 46336028

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol?
The IUPAC name of 1-butyl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol (CID 46336027) is 1-butyl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol.
What is the SMILES notation for 1-butyl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol?
The canonical SMILES for 1-butyl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol is CCCCN1CCC(O)(C2CCN3Cc4ccccc4N=C23)CC1.
What is the InChIKey of 1-butyl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol?
The InChIKey is ZGNMONRAEZXPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-2-3-11-22-13-9-20(24,10-14-22)17-8-12-23-15-16-6-4-5-7-18(16)21-19(17)23/h4-7,17,24H,2-3,8-15H2,1H3.
What are the key properties of 1-butyl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol?
1-butyl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol has a molecular weight of 327.47 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol is sourced from PubChem (CID 46336027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).