2-butyl-4a,8a-dihydroquinazoline

C12H16N2 — CID 21014293

IUPAC2-butyl-4a,8a-dihydroquinazoline
SMILESCCCCC1=NC2C=CC=CC2C=N1
InChIInChI=1S/C12H16N2/c1-2-3-8-12-13-9-10-6-4-5-7-11(10)14-12/h4-7,9-11H,2-3,8H2,1H3
InChIKeyONEHBOSNYAPUII-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.77
Rot. Bonds3

About 2-butyl-4a,8a-dihydroquinazoline

2-butyl-4a,8a-dihydroquinazoline (PubChem CID 21014293) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-butyl-4a,8a-dihydroquinazoline.

Molecular Properties

Compound Name2-butyl-4a,8a-dihydroquinazoline
PubChem CID21014293
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-butyl-4a,8a-dihydroquinazoline
SMILESCCCCC1=NC2C=CC=CC2C=N1
InChIInChI=1S/C12H16N2/c1-2-3-8-12-13-9-10-6-4-5-7-11(10)14-12/h4-7,9-11H,2-3,8H2,1H3
InChIKeyONEHBOSNYAPUII-UHFFFAOYSA-N
XLogP2.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4a,8a-Dihydroquinazoline
CID 20709896
2-butyl-4a,8a-dihydro-4H-quinazolin-4-ide;yttrium
CID 58596027
8a-methyl-4aH-quinazoline
CID 70236079
2-Methyl-4a,8a-dihydroquinazoline
CID 70258476
N,N-dimethyl-3-(2-methylpropyl)-4a,8a-dihydroquinoxalin-2-amine
CID 91198036
(6R)-6-methyl-6,6a-dihydro-5aH-cyclopropa[b][1,8]naphthyridine
CID 121440973
2-cyclohexa-1,3-dien-1-yl-6-(6-methylcyclohex-3-en-1-yl)-6H-1,3,5-triazepine
CID 129306657
4,4a-Dihydroquinazoline;ethane
CID 142853989
4a,5,6,8a-Tetrahydroquinazoline
CID 147976601
2-Cyclohexa-1,5-dien-1-yl-4-hexa-1,5-dien-3-yl-4,5-dihydropyrimidine
CID 156490360
5-[(3Z)-hexa-3,5-dien-2-yl]-2,4-dimethyl-4,5-dihydropyrimidine
CID 170013042
(5S)-2-cyclohexa-1,5-dien-1-yl-5-ethyl-4-methyl-4,5-dihydropyrimidine
CID 173809099

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4a,8a-dihydroquinazoline?
The IUPAC name of 2-butyl-4a,8a-dihydroquinazoline (CID 21014293) is 2-butyl-4a,8a-dihydroquinazoline.
What is the SMILES notation for 2-butyl-4a,8a-dihydroquinazoline?
The canonical SMILES for 2-butyl-4a,8a-dihydroquinazoline is CCCCC1=NC2C=CC=CC2C=N1.
What is the InChIKey of 2-butyl-4a,8a-dihydroquinazoline?
The InChIKey is ONEHBOSNYAPUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-3-8-12-13-9-10-6-4-5-7-11(10)14-12/h4-7,9-11H,2-3,8H2,1H3.
What are the key properties of 2-butyl-4a,8a-dihydroquinazoline?
2-butyl-4a,8a-dihydroquinazoline has a molecular weight of 188.27 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4a,8a-dihydroquinazoline is sourced from PubChem (CID 21014293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).