2,6-dichloro-7-(1-methylpiperidin-4-yl)quinazoline;oxolan-3-ol

C18H23Cl2N3O2 — CID 156730887

IUPAC2,6-dichloro-7-(1-methylpiperidin-4-yl)quinazoline;oxolan-3-ol
SMILESCN1CCC(c2cc3nc(Cl)ncc3cc2Cl)CC1.OC1CCOC1
InChIInChI=1S/C14H15Cl2N3.C4H8O2/c1-19-4-2-9(3-5-19)11-7-13-10(6-12(11)15)8-17-14(16)18-13;5-4-1-2-6-3-4/h6-9H,2-5H2,1H3;4-5H,1-3H2
InChIKeyGHVFHWUMTVJPQM-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.51
Rot. Bonds1

About 2,6-dichloro-7-(1-methylpiperidin-4-yl)quinazoline;oxolan-3-ol

2,6-dichloro-7-(1-methylpiperidin-4-yl)quinazoline;oxolan-3-ol (PubChem CID 156730887) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 2,6-dichloro-7-(1-methylpiperidin-4-yl)quinazoline;oxolan-3-ol.

Molecular Properties

Compound Name2,6-dichloro-7-(1-methylpiperidin-4-yl)quinazoline;oxolan-3-ol
PubChem CID156730887
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC Name2,6-dichloro-7-(1-methylpiperidin-4-yl)quinazoline;oxolan-3-ol
SMILESCN1CCC(c2cc3nc(Cl)ncc3cc2Cl)CC1.OC1CCOC1
InChIInChI=1S/C14H15Cl2N3.C4H8O2/c1-19-4-2-9(3-5-19)11-7-13-10(6-12(11)15)8-17-14(16)18-13;5-4-1-2-6-3-4/h6-9H,2-5H2,1H3;4-5H,1-3H2
InChIKeyGHVFHWUMTVJPQM-UHFFFAOYSA-N
XLogP3.51
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol
CID 167326612
6-chloro-7-piperidin-4-ylquinazolin-2-amine;3-methyloxolane
CID 156730676
6-chloro-N-(5-methyl-1-propylpyrazol-4-yl)-7-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-2-amine
CID 156730602
6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine
CID 156730649
2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride
CID 142636464
(3R)-4-[4-[2-[[1-(1-bicyclo[1.1.1]pentanyl)-5-methylpyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]piperidin-1-yl]oxolan-3-ol
CID 167326481
4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 156730575
4-[4-[6-chloro-2-[(1,5-dimethylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 167326767
5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole
CID 162502647
(3S,4S)-4-[4-[6-chloro-2-[(5-chloro-1H-pyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]oxolan-3-ol
CID 156730652
CID 156730761
CID 156730761
2-[4-[[6-chloro-7-[1-[(3R,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]quinazolin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 167326498

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-7-(1-methylpiperidin-4-yl)quinazoline;oxolan-3-ol?
The IUPAC name of 2,6-dichloro-7-(1-methylpiperidin-4-yl)quinazoline;oxolan-3-ol (CID 156730887) is 2,6-dichloro-7-(1-methylpiperidin-4-yl)quinazoline;oxolan-3-ol.
What is the SMILES notation for 2,6-dichloro-7-(1-methylpiperidin-4-yl)quinazoline;oxolan-3-ol?
The canonical SMILES for 2,6-dichloro-7-(1-methylpiperidin-4-yl)quinazoline;oxolan-3-ol is CN1CCC(c2cc3nc(Cl)ncc3cc2Cl)CC1.OC1CCOC1.
What is the InChIKey of 2,6-dichloro-7-(1-methylpiperidin-4-yl)quinazoline;oxolan-3-ol?
The InChIKey is GHVFHWUMTVJPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3.C4H8O2/c1-19-4-2-9(3-5-19)11-7-13-10(6-12(11)15)8-17-14(16)18-13;5-4-1-2-6-3-4/h6-9H,2-5H2,1H3;4-5H,1-3H2.
What are the key properties of 2,6-dichloro-7-(1-methylpiperidin-4-yl)quinazoline;oxolan-3-ol?
2,6-dichloro-7-(1-methylpiperidin-4-yl)quinazoline;oxolan-3-ol has a molecular weight of 384.31 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-7-(1-methylpiperidin-4-yl)quinazoline;oxolan-3-ol is sourced from PubChem (CID 156730887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).