4-ethoxy-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline

C15H24N4O — CID 12933882

IUPAC4-ethoxy-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline
SMILESCCOc1nc(N2CCN(C)CC2)nc2c1CCCC2
InChIInChI=1S/C15H24N4O/c1-3-20-14-12-6-4-5-7-13(12)16-15(17-14)19-10-8-18(2)9-11-19/h3-11H2,1-2H3
InChIKeyGOWXJJPFANRIGY-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.51
Rot. Bonds3

About 4-ethoxy-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline

4-ethoxy-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 12933882) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-ethoxy-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-ethoxy-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline
PubChem CID12933882
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-ethoxy-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline
SMILESCCOc1nc(N2CCN(C)CC2)nc2c1CCCC2
InChIInChI=1S/C15H24N4O/c1-3-20-14-12-6-4-5-7-13(12)16-15(17-14)19-10-8-18(2)9-11-19/h3-11H2,1-2H3
InChIKeyGOWXJJPFANRIGY-UHFFFAOYSA-N
XLogP1.51
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-2-(piperazin-1-yl)-5,6,7,8-tetrahydroquinazoline
CID 498210
4-[3-(4-Methylpiperazin-1-yl)propoxy]-2-phenyl-5,6,7,8-tetrahydroquinazoline
CID 127032696
4'-(2-(dimethylamino)ethoxy)-6',7'-dihydro-5'H-spiro[cyclopentane-1,8'-quinazolin]-2'-amine
CID 44231623
4-(1-methylpiperidin-4-yl)oxyspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine
CID 46881931
2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 22943724
2,4-Di-t-butyl-6,7-dihydro-5h-pyrano[2,3-d]pyrimidine
CID 129708459
4-ethoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53538543
4-(2,2-Difluoroethoxy)-5,6,7,8-tetrahydroquinazoline
CID 126954579
N-[2-[[6,6-difluoro-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-quinazolin-4-yl]oxy]ethylsulfanyl]propan-2-amine
CID 144210289
N-[2-[[6,6-difluoro-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-quinazolin-4-yl]oxy]ethyl]propane-2-sulfonamide
CID 144210314
2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 172576417
6-(difluoromethyl)-2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576418

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-ethoxy-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline (CID 12933882) is 4-ethoxy-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-ethoxy-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-ethoxy-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline is CCOc1nc(N2CCN(C)CC2)nc2c1CCCC2.
What is the InChIKey of 4-ethoxy-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is GOWXJJPFANRIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-20-14-12-6-4-5-7-13(12)16-15(17-14)19-10-8-18(2)9-11-19/h3-11H2,1-2H3.
What are the key properties of 4-ethoxy-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline?
4-ethoxy-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 276.38 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 12933882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).