7-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline

C12H14N2 — CID 18992851

IUPAC7-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
SMILESCc1ccc2c(c1)CN1CCCC1=N2
InChIInChI=1S/C12H14N2/c1-9-4-5-11-10(7-9)8-14-6-2-3-12(14)13-11/h4-5,7H,2-3,6,8H2,1H3
InChIKeyASRYMXJTFQENPV-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.63
Rot. Bonds

About 7-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline

7-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline (PubChem CID 18992851) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 7-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline.

Molecular Properties

Compound Name7-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
PubChem CID18992851
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name7-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline
SMILESCc1ccc2c(c1)CN1CCCC1=N2
InChIInChI=1S/C12H14N2/c1-9-4-5-11-10(7-9)8-14-6-2-3-12(14)13-11/h4-5,7H,2-3,6,8H2,1H3
InChIKeyASRYMXJTFQENPV-UHFFFAOYSA-N
XLogP2.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The IUPAC name of 7-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline (CID 18992851) is 7-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline.
What is the SMILES notation for 7-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The canonical SMILES for 7-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline is Cc1ccc2c(c1)CN1CCCC1=N2.
What is the InChIKey of 7-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
The InChIKey is ASRYMXJTFQENPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-4-5-11-10(7-9)8-14-6-2-3-12(14)13-11/h4-5,7H,2-3,6,8H2,1H3.
What are the key properties of 7-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline?
7-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline has a molecular weight of 186.26 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline is sourced from PubChem (CID 18992851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).