3-(2-methylprop-2-enyl)-4H-quinazoline

C12H14N2 — CID 11629718

IUPAC3-(2-methylprop-2-enyl)-4H-quinazoline
SMILESC=C(C)CN1C=Nc2ccccc2C1
InChIInChI=1S/C12H14N2/c1-10(2)7-14-8-11-5-3-4-6-12(11)13-9-14/h3-6,9H,1,7-8H2,2H3
InChIKeyCGHUFWAIRGJZBE-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.74
Rot. Bonds2

About 3-(2-methylprop-2-enyl)-4H-quinazoline

3-(2-methylprop-2-enyl)-4H-quinazoline (PubChem CID 11629718) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-(2-methylprop-2-enyl)-4H-quinazoline.

Molecular Properties

Compound Name3-(2-methylprop-2-enyl)-4H-quinazoline
PubChem CID11629718
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name3-(2-methylprop-2-enyl)-4H-quinazoline
SMILESC=C(C)CN1C=Nc2ccccc2C1
InChIInChI=1S/C12H14N2/c1-10(2)7-14-8-11-5-3-4-6-12(11)13-9-14/h3-6,9H,1,7-8H2,2H3
InChIKeyCGHUFWAIRGJZBE-UHFFFAOYSA-N
XLogP2.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4,6-trimethylphenyl)methyl]-4H-quinazoline
CID 102203198
3-(pyrrolidin-3-ylmethyl)-4H-quinazoline
CID 71650885
3-[[4-(difluoromethoxy)phenyl]methyl]-4H-quinazoline
CID 174835611
1-(2-methylprop-2-enyl)-2,3-dihydroindole
CID 15723561
4H-quinazoline-3-carboxamide;hydrochloride
CID 67974044
1-methyl-3-(4H-quinazolin-3-yl)pyrrole-2,5-diol
CID 90891190
3-butyl-4H-pyrido[4,3-d]pyrimidine
CID 19906282
2,2-difluoroethyl-methylidene-[4-methyl-3-(4H-quinazolin-3-yl)phenyl]-λ4-sulfane
CID 158833307
3-ethyl-4H-imidazol-5-one;2-methylprop-2-enoic acid
CID 69130120
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methylpent-4-en-1-one
CID 114473574
1-[4-hydroxy-4-(4H-quinazolin-3-ylmethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 141360639
methyl 2-[2-[(3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]prop-2-enyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 70057574

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enyl)-4H-quinazoline?
The IUPAC name of 3-(2-methylprop-2-enyl)-4H-quinazoline (CID 11629718) is 3-(2-methylprop-2-enyl)-4H-quinazoline.
What is the SMILES notation for 3-(2-methylprop-2-enyl)-4H-quinazoline?
The canonical SMILES for 3-(2-methylprop-2-enyl)-4H-quinazoline is C=C(C)CN1C=Nc2ccccc2C1.
What is the InChIKey of 3-(2-methylprop-2-enyl)-4H-quinazoline?
The InChIKey is CGHUFWAIRGJZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-10(2)7-14-8-11-5-3-4-6-12(11)13-9-14/h3-6,9H,1,7-8H2,2H3.
What are the key properties of 3-(2-methylprop-2-enyl)-4H-quinazoline?
3-(2-methylprop-2-enyl)-4H-quinazoline has a molecular weight of 186.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enyl)-4H-quinazoline is sourced from PubChem (CID 11629718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).