2-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline

C12H14N2 — CID 57374606

IUPAC2-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline
SMILESCC1CC2N=c3ccccc3=CN2C1
InChIInChI=1S/C12H14N2/c1-9-6-12-13-11-5-3-2-4-10(11)8-14(12)7-9/h2-5,8-9,12H,6-7H2,1H3
InChIKeyUIMKANXAGBZYBB-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.73
Rot. Bonds

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

2-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline (PubChem CID 57374606) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline.

Molecular Properties

Compound Name2-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline
PubChem CID57374606
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline
SMILESCC1CC2N=c3ccccc3=CN2C1
InChIInChI=1S/C12H14N2/c1-9-6-12-13-11-5-3-2-4-10(11)8-14(12)7-9/h2-5,8-9,12H,6-7H2,1H3
InChIKeyUIMKANXAGBZYBB-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydropyrrolo[2,1-b]quinazoline
CID 67838209
6,8-Difluoro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline
CID 67740346
3,3-difluoro-7-methyl-2,3a-dihydro-1H-pyrrolo[2,1-b]quinazoline
CID 176062517
3,3-dimethyl-2-(trifluoromethyl)-2,3a-dihydro-1H-pyrrolo[2,1-b]quinazoline
CID 176112973
2-Methyl-2-pyrrolidin-1-ylindole
CID 54441439
3-Chloro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline
CID 67836734
2-Bromo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline
CID 67836980
1-Chloro-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline
CID 67873575
2-methyl-3-pentyl-2H-quinazoline
CID 70386974
3-methyl-6-propan-2-yl-2H-quinazoline
CID 143715698
3-pent-4-enyl-2H-quinazoline
CID 175743153
3-but-3-enyl-2H-quinazoline
CID 175895386

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline?
The IUPAC name of 2-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline (CID 57374606) is 2-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline.
What is the SMILES notation for 2-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline?
The canonical SMILES for 2-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline is CC1CC2N=c3ccccc3=CN2C1.
What is the InChIKey of 2-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline?
The InChIKey is UIMKANXAGBZYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-6-12-13-11-5-3-2-4-10(11)8-14(12)7-9/h2-5,8-9,12H,6-7H2,1H3.
What are the key properties of 2-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline?
2-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline has a molecular weight of 186.26 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline is sourced from PubChem (CID 57374606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).