4-[4-(2,6-dimethylquinazolin-7-yl)piperazin-1-yl]-4-methyloxolan-3-ol;ethane

C21H32N4O2 — CID 162748235

IUPAC4-[4-(2,6-dimethylquinazolin-7-yl)piperazin-1-yl]-4-methyloxolan-3-ol;ethane
SMILESCC.Cc1ncc2cc(C)c(N3CCN(C4(C)COCC4O)CC3)cc2n1
InChIInChI=1S/C19H26N4O2.C2H6/c1-13-8-15-10-20-14(2)21-16(15)9-17(13)22-4-6-23(7-5-22)19(3)12-25-11-18(19)24;1-2/h8-10,18,24H,4-7,11-12H2,1-3H3;1-2H3
InChIKeyKNTUHBKBEHPFDL-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.54
Rot. Bonds2

About 4-[4-(2,6-dimethylquinazolin-7-yl)piperazin-1-yl]-4-methyloxolan-3-ol;ethane

4-[4-(2,6-dimethylquinazolin-7-yl)piperazin-1-yl]-4-methyloxolan-3-ol;ethane (PubChem CID 162748235) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-[4-(2,6-dimethylquinazolin-7-yl)piperazin-1-yl]-4-methyloxolan-3-ol;ethane.

Molecular Properties

Compound Name4-[4-(2,6-dimethylquinazolin-7-yl)piperazin-1-yl]-4-methyloxolan-3-ol;ethane
PubChem CID162748235
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name4-[4-(2,6-dimethylquinazolin-7-yl)piperazin-1-yl]-4-methyloxolan-3-ol;ethane
SMILESCC.Cc1ncc2cc(C)c(N3CCN(C4(C)COCC4O)CC3)cc2n1
InChIInChI=1S/C19H26N4O2.C2H6/c1-13-8-15-10-20-14(2)21-16(15)9-17(13)22-4-6-23(7-5-22)19(3)12-25-11-18(19)24;1-2/h8-10,18,24H,4-7,11-12H2,1-3H3;1-2H3
InChIKeyKNTUHBKBEHPFDL-UHFFFAOYSA-N
XLogP2.54
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2,6-dimethylquinazolin-7-yl)piperazin-1-yl]-4-methyloxolan-3-ol;ethane with MolForge

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Related Compounds

4-[4-[2-[[5-chloro-1-(2,2-difluorocyclopropyl)pyrazol-4-yl]amino]-6-methylquinazolin-7-yl]piperazin-1-yl]-4-methyloxolan-3-ol
CID 162747777
N-[6-[4-(4-hydroxy-3-methyloxolan-3-yl)piperazin-1-yl]-7-methylisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 163277941
N-[7-chloro-6-[4-[(3S,4S)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl]isoquinolin-3-yl]oxane-4-carboxamide
CID 163277744
N-[7-chloro-6-[4-(4-hydroxy-3-methyloxolan-3-yl)piperazin-1-yl]isoquinolin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 163277811
(4R)-4-[4-[6-chloro-2-[[1-cyclopropyl-5-(difluoromethyl)pyrazol-4-yl]amino]quinazolin-7-yl]piperazin-1-yl]-4-methyloxolan-3-ol
CID 162748023
N-[7-chloro-6-[4-[(3S,4S)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl]isoquinolin-3-yl]-3-methoxypropanamide
CID 163277509
(4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol
CID 167326612
N-[7-chloro-6-[4-(4-hydroxy-3-methyloxolan-3-yl)piperazin-1-yl]isoquinolin-3-yl]-5,5-dimethyloxolane-3-carboxamide
CID 163278033
N-[7-chloro-6-[4-(4-hydroxy-3-methyloxolan-3-yl)piperazin-1-yl]isoquinolin-3-yl]oxolane-2-carboxamide
CID 164514529
(2R,3S)-N-[7-chloro-6-[4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl]isoquinolin-3-yl]-5-oxaspiro[2.4]heptane-2-carboxamide
CID 163277846
(3R,4R)-4-[4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-6-methylquinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 167326584
N-[7-chloro-6-[4-(4-hydroxy-3-methyloxolan-3-yl)piperazin-1-yl]isoquinolin-3-yl]-3-(2-hydroxypropan-2-yl)cyclobutane-1-carboxamide
CID 170538509

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-dimethylquinazolin-7-yl)piperazin-1-yl]-4-methyloxolan-3-ol;ethane?
The IUPAC name of 4-[4-(2,6-dimethylquinazolin-7-yl)piperazin-1-yl]-4-methyloxolan-3-ol;ethane (CID 162748235) is 4-[4-(2,6-dimethylquinazolin-7-yl)piperazin-1-yl]-4-methyloxolan-3-ol;ethane.
What is the SMILES notation for 4-[4-(2,6-dimethylquinazolin-7-yl)piperazin-1-yl]-4-methyloxolan-3-ol;ethane?
The canonical SMILES for 4-[4-(2,6-dimethylquinazolin-7-yl)piperazin-1-yl]-4-methyloxolan-3-ol;ethane is CC.Cc1ncc2cc(C)c(N3CCN(C4(C)COCC4O)CC3)cc2n1.
What is the InChIKey of 4-[4-(2,6-dimethylquinazolin-7-yl)piperazin-1-yl]-4-methyloxolan-3-ol;ethane?
The InChIKey is KNTUHBKBEHPFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.C2H6/c1-13-8-15-10-20-14(2)21-16(15)9-17(13)22-4-6-23(7-5-22)19(3)12-25-11-18(19)24;1-2/h8-10,18,24H,4-7,11-12H2,1-3H3;1-2H3.
What are the key properties of 4-[4-(2,6-dimethylquinazolin-7-yl)piperazin-1-yl]-4-methyloxolan-3-ol;ethane?
4-[4-(2,6-dimethylquinazolin-7-yl)piperazin-1-yl]-4-methyloxolan-3-ol;ethane has a molecular weight of 372.51 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-dimethylquinazolin-7-yl)piperazin-1-yl]-4-methyloxolan-3-ol;ethane is sourced from PubChem (CID 162748235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).