6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline

C11H11ClN2 — CID 18992286

IUPAC6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
SMILESClc1ccc2c(c1)N=C1CCCN1C2
InChIInChI=1S/C11H11ClN2/c12-9-4-3-8-7-14-5-1-2-11(14)13-10(8)6-9/h3-4,6H,1-2,5,7H2
InChIKeyLUBRTUDGDMQXNZ-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.98
Rot. Bonds

About 6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline

6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline (PubChem CID 18992286) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline.

Molecular Properties

Compound Name6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
PubChem CID18992286
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
SMILESClc1ccc2c(c1)N=C1CCCN1C2
InChIInChI=1S/C11H11ClN2/c12-9-4-3-8-7-14-5-1-2-11(14)13-10(8)6-9/h3-4,6H,1-2,5,7H2
InChIKeyLUBRTUDGDMQXNZ-UHFFFAOYSA-N
XLogP2.98
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The IUPAC name of 6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline (CID 18992286) is 6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline.
What is the SMILES notation for 6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The canonical SMILES for 6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline is Clc1ccc2c(c1)N=C1CCCN1C2.
What is the InChIKey of 6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The InChIKey is LUBRTUDGDMQXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c12-9-4-3-8-7-14-5-1-2-11(14)13-10(8)6-9/h3-4,6H,1-2,5,7H2.
What are the key properties of 6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline has a molecular weight of 206.68 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline is sourced from PubChem (CID 18992286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).