8-methoxy-3-prop-2-ynyl-2,4-dihydro-1H-quinazoline

C12H14N2O — CID 175890130

IUPAC8-methoxy-3-prop-2-ynyl-2,4-dihydro-1H-quinazoline
SMILESC#CCN1CNc2c(cccc2OC)C1
InChIInChI=1S/C12H14N2O/c1-3-7-14-8-10-5-4-6-11(15-2)12(10)13-9-14/h1,4-6,13H,7-9H2,2H3
InChIKeyVEFBETJKJJMFLB-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.51
Rot. Bonds2

About 8-methoxy-3-prop-2-ynyl-2,4-dihydro-1H-quinazoline

8-methoxy-3-prop-2-ynyl-2,4-dihydro-1H-quinazoline (PubChem CID 175890130) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 8-methoxy-3-prop-2-ynyl-2,4-dihydro-1H-quinazoline.

Molecular Properties

Compound Name8-methoxy-3-prop-2-ynyl-2,4-dihydro-1H-quinazoline
PubChem CID175890130
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name8-methoxy-3-prop-2-ynyl-2,4-dihydro-1H-quinazoline
SMILESC#CCN1CNc2c(cccc2OC)C1
InChIInChI=1S/C12H14N2O/c1-3-7-14-8-10-5-4-6-11(15-2)12(10)13-9-14/h1,4-6,13H,7-9H2,2H3
InChIKeyVEFBETJKJJMFLB-UHFFFAOYSA-N
XLogP1.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 96616866
3-methoxy-2-[(1-prop-2-ynylpiperidin-4-yl)amino]benzonitrile
CID 107466782
6,7-dimethoxy-2-prop-2-ynylspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane];hydrochloride
CID 44827817
1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione
CID 146074791
2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol
CID 62231982
4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol
CID 82958668
7-methoxy-2,2-dimethyl-1,3-dihydroindole
CID 84717961
[2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545248
6,7-dimethoxy-2-[(2-methoxy-3-prop-2-ynoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 87947047
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370116
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-prop-2-ynyl-2,4-dihydro-1H-quinazoline?
The IUPAC name of 8-methoxy-3-prop-2-ynyl-2,4-dihydro-1H-quinazoline (CID 175890130) is 8-methoxy-3-prop-2-ynyl-2,4-dihydro-1H-quinazoline.
What is the SMILES notation for 8-methoxy-3-prop-2-ynyl-2,4-dihydro-1H-quinazoline?
The canonical SMILES for 8-methoxy-3-prop-2-ynyl-2,4-dihydro-1H-quinazoline is C#CCN1CNc2c(cccc2OC)C1.
What is the InChIKey of 8-methoxy-3-prop-2-ynyl-2,4-dihydro-1H-quinazoline?
The InChIKey is VEFBETJKJJMFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-7-14-8-10-5-4-6-11(15-2)12(10)13-9-14/h1,4-6,13H,7-9H2,2H3.
What are the key properties of 8-methoxy-3-prop-2-ynyl-2,4-dihydro-1H-quinazoline?
8-methoxy-3-prop-2-ynyl-2,4-dihydro-1H-quinazoline has a molecular weight of 202.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-prop-2-ynyl-2,4-dihydro-1H-quinazoline is sourced from PubChem (CID 175890130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).