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

C14H18N2O — CID 53299012

IUPAC2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)propan-2-ol
SMILESCC(C)(O)C1CCN2Cc3ccccc3N=C12
InChIInChI=1S/C14H18N2O/c1-14(2,17)11-7-8-16-9-10-5-3-4-6-12(10)15-13(11)16/h3-6,11,17H,7-9H2,1-2H3
InChIKeyZWIQVLMQVMBNEP-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.32
Rot. Bonds1

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

2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)propan-2-ol (PubChem CID 53299012) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)propan-2-ol
PubChem CID53299012
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)propan-2-ol
SMILESCC(C)(O)C1CCN2Cc3ccccc3N=C12
InChIInChI=1S/C14H18N2O/c1-14(2,17)11-7-8-16-9-10-5-3-4-6-12(10)15-13(11)16/h3-6,11,17H,7-9H2,1-2H3
InChIKeyZWIQVLMQVMBNEP-UHFFFAOYSA-N
XLogP2.32
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)propan-2-ol?
The IUPAC name of 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)propan-2-ol (CID 53299012) is 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)propan-2-ol.
What is the SMILES notation for 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)propan-2-ol?
The canonical SMILES for 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)propan-2-ol is CC(C)(O)C1CCN2Cc3ccccc3N=C12.
What is the InChIKey of 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)propan-2-ol?
The InChIKey is ZWIQVLMQVMBNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2,17)11-7-8-16-9-10-5-3-4-6-12(10)15-13(11)16/h3-6,11,17H,7-9H2,1-2H3.
What are the key properties of 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)propan-2-ol?
2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)propan-2-ol has a molecular weight of 230.31 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)propan-2-ol is sourced from PubChem (CID 53299012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).