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

C19H27N3O — CID 46336026

IUPAC1-propan-2-yl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol
SMILESCC(C)N1CCC(O)(C2CCN3Cc4ccccc4N=C23)CC1
InChIInChI=1S/C19H27N3O/c1-14(2)21-11-8-19(23,9-12-21)16-7-10-22-13-15-5-3-4-6-17(15)20-18(16)22/h3-6,14,16,23H,7-13H2,1-2H3
InChIKeyWCQIRSQIXCURNN-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.79
Rot. Bonds2

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

1-propan-2-yl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol (PubChem CID 46336026) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-propan-2-yl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-propan-2-yl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol
PubChem CID46336026
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name1-propan-2-yl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol
SMILESCC(C)N1CCC(O)(C2CCN3Cc4ccccc4N=C23)CC1
InChIInChI=1S/C19H27N3O/c1-14(2)21-11-8-19(23,9-12-21)16-7-10-22-13-15-5-3-4-6-17(15)20-18(16)22/h3-6,14,16,23H,7-13H2,1-2H3
InChIKeyWCQIRSQIXCURNN-UHFFFAOYSA-N
XLogP2.79
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol?
The IUPAC name of 1-propan-2-yl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol (CID 46336026) is 1-propan-2-yl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol.
What is the SMILES notation for 1-propan-2-yl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol?
The canonical SMILES for 1-propan-2-yl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol is CC(C)N1CCC(O)(C2CCN3Cc4ccccc4N=C23)CC1.
What is the InChIKey of 1-propan-2-yl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol?
The InChIKey is WCQIRSQIXCURNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-14(2)21-11-8-19(23,9-12-21)16-7-10-22-13-15-5-3-4-6-17(15)20-18(16)22/h3-6,14,16,23H,7-13H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol?
1-propan-2-yl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol has a molecular weight of 313.44 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol is sourced from PubChem (CID 46336026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).