(4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol

C18H21Cl2N3O2 — CID 167326612

IUPAC(4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol
SMILESC[C@@]1(N2CCC(c3cc4nc(Cl)ncc4cc3Cl)CC2)COCC1O
InChIInChI=1S/C18H21Cl2N3O2/c1-18(10-25-9-16(18)24)23-4-2-11(3-5-23)13-7-15-12(6-14(13)19)8-21-17(20)22-15/h6-8,11,16,24H,2-5,9-10H2,1H3/t16?,18-/m1/s1
InChIKeyWQCZTLSQFJCXQM-UHUGOGIASA-N
MW382.29 g/mol
LogP3.27
Rot. Bonds2

About (4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol

(4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol (PubChem CID 167326612) has the molecular formula C18H21Cl2N3O2 and a molecular weight of 382.29 g/mol. Its IUPAC name is (4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol.

Molecular Properties

Compound Name(4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol
PubChem CID167326612
Molecular FormulaC18H21Cl2N3O2
Molecular Weight382.29 g/mol
Exact Mass381.10
IUPAC Name(4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol
SMILESC[C@@]1(N2CCC(c3cc4nc(Cl)ncc4cc3Cl)CC2)COCC1O
InChIInChI=1S/C18H21Cl2N3O2/c1-18(10-25-9-16(18)24)23-4-2-11(3-5-23)13-7-15-12(6-14(13)19)8-21-17(20)22-15/h6-8,11,16,24H,2-5,9-10H2,1H3/t16?,18-/m1/s1
InChIKeyWQCZTLSQFJCXQM-UHUGOGIASA-N
XLogP3.27
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol?
The IUPAC name of (4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol (CID 167326612) is (4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol.
What is the SMILES notation for (4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol?
The canonical SMILES for (4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol is C[C@@]1(N2CCC(c3cc4nc(Cl)ncc4cc3Cl)CC2)COCC1O.
What is the InChIKey of (4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol?
The InChIKey is WQCZTLSQFJCXQM-UHUGOGIASA-N. The full InChI is InChI=1S/C18H21Cl2N3O2/c1-18(10-25-9-16(18)24)23-4-2-11(3-5-23)13-7-15-12(6-14(13)19)8-21-17(20)22-15/h6-8,11,16,24H,2-5,9-10H2,1H3/t16?,18-/m1/s1.
What are the key properties of (4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol?
(4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol has a molecular weight of 382.29 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(2,6-dichloroquinazolin-7-yl)piperidin-1-yl]-4-methyloxolan-3-ol is sourced from PubChem (CID 167326612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).