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

C11H13ClN2 — CID 3046290

IUPAC1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrochloride
SMILESCl.c1ccc2c(c1)CN1CCCC1=N2
InChIInChI=1S/C11H12N2.ClH/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10;/h1-2,4-5H,3,6-8H2;1H
InChIKeyKTCXMTWSISEJFZ-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.75
Rot. Bonds

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

1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrochloride (PubChem CID 3046290) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrochloride.

Molecular Properties

Compound Name1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrochloride
PubChem CID3046290
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrochloride
SMILESCl.c1ccc2c(c1)CN1CCCC1=N2
InChIInChI=1S/C11H12N2.ClH/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10;/h1-2,4-5H,3,6-8H2;1H
InChIKeyKTCXMTWSISEJFZ-UHFFFAOYSA-N
XLogP2.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.75
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;hydrochloride?
The IUPAC name of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrochloride (CID 3046290) is 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrochloride.
What is the SMILES notation for 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrochloride?
The canonical SMILES for 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrochloride is Cl.c1ccc2c(c1)CN1CCCC1=N2.
What is the InChIKey of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrochloride?
The InChIKey is KTCXMTWSISEJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.ClH/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10;/h1-2,4-5H,3,6-8H2;1H.
What are the key properties of 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrochloride?
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 2.75, 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;hydrochloride is sourced from PubChem (CID 3046290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).