5-propan-2-ylidene-8H-quinazoline

C11H12N2 — CID 58808804

IUPAC5-propan-2-ylidene-8H-quinazoline
SMILESCC(C)=C1C=CCc2ncncc21
InChIInChI=1S/C11H12N2/c1-8(2)9-4-3-5-11-10(9)6-12-7-13-11/h3-4,6-7H,5H2,1-2H3
InChIKeyAGHIJLQQUQFUOK-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.38
Rot. Bonds

About 5-propan-2-ylidene-8H-quinazoline

5-propan-2-ylidene-8H-quinazoline (PubChem CID 58808804) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 5-propan-2-ylidene-8H-quinazoline.

Molecular Properties

Compound Name5-propan-2-ylidene-8H-quinazoline
PubChem CID58808804
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name5-propan-2-ylidene-8H-quinazoline
SMILESCC(C)=C1C=CCc2ncncc21
InChIInChI=1S/C11H12N2/c1-8(2)9-4-3-5-11-10(9)6-12-7-13-11/h3-4,6-7H,5H2,1-2H3
InChIKeyAGHIJLQQUQFUOK-UHFFFAOYSA-N
XLogP2.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-propan-2-ylpyrimidin-5-yl)-7H-cyclopenta[b]pyridine
CID 159002888
ethane;5-methylidene-7,8-dihydro-6H-quinazoline
CID 143340702
2,4-diazabicyclo[4.1.0]hepta-1,3,5-triene;methyl acetate
CID 174493888
3,5,11,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-8-one
CID 142739996
7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one
CID 82417594
6,6-dimethyl-5,7-dihydropyrrolo[3,2-d]pyrimidine
CID 175273370
4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 141121486
6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine
CID 155186344
6-tert-butyl-7H-cyclopenta[d]pyrimidine
CID 159135744
(4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine
CID 168932435
6-hydroxy-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 175171276
ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 143170671

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylidene-8H-quinazoline?
The IUPAC name of 5-propan-2-ylidene-8H-quinazoline (CID 58808804) is 5-propan-2-ylidene-8H-quinazoline.
What is the SMILES notation for 5-propan-2-ylidene-8H-quinazoline?
The canonical SMILES for 5-propan-2-ylidene-8H-quinazoline is CC(C)=C1C=CCc2ncncc21.
What is the InChIKey of 5-propan-2-ylidene-8H-quinazoline?
The InChIKey is AGHIJLQQUQFUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-8(2)9-4-3-5-11-10(9)6-12-7-13-11/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 5-propan-2-ylidene-8H-quinazoline?
5-propan-2-ylidene-8H-quinazoline has a molecular weight of 172.23 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylidene-8H-quinazoline is sourced from PubChem (CID 58808804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).