1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrate;hydrochloride

C11H15ClN2O — CID 71458725

IUPAC1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrate;hydrochloride
SMILESCl.O.c1ccc2c(c1)CN1CCCC1=N2
InChIInChI=1S/C11H12N2.ClH.H2O/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10;;/h1-2,4-5H,3,6-8H2;1H;1H2
InChIKeyFKJPOYVNZMUHHI-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.92
Rot. Bonds

About 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrate;hydrochloride

1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrate;hydrochloride (PubChem CID 71458725) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrate;hydrochloride.

Molecular Properties

Compound Name1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrate;hydrochloride
PubChem CID71458725
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrate;hydrochloride
SMILESCl.O.c1ccc2c(c1)CN1CCCC1=N2
InChIInChI=1S/C11H12N2.ClH.H2O/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10;;/h1-2,4-5H,3,6-8H2;1H;1H2
InChIKeyFKJPOYVNZMUHHI-UHFFFAOYSA-N
XLogP1.92
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrate;hydrochloride?
The IUPAC name of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrate;hydrochloride (CID 71458725) is 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrate;hydrochloride.
What is the SMILES notation for 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrate;hydrochloride?
The canonical SMILES for 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrate;hydrochloride is Cl.O.c1ccc2c(c1)CN1CCCC1=N2.
What is the InChIKey of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrate;hydrochloride?
The InChIKey is FKJPOYVNZMUHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.ClH.H2O/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10;;/h1-2,4-5H,3,6-8H2;1H;1H2.
What are the key properties of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrate;hydrochloride?
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrate;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrate;hydrochloride is sourced from PubChem (CID 71458725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).