7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline

C17H21N3O2 — CID 68693804

IUPAC7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline
SMILESc1nc(C2CCNCC2)c2ccc(OC3CCOC3)cc2n1
InChIInChI=1S/C17H21N3O2/c1-2-15-16(9-13(1)22-14-5-8-21-10-14)19-11-20-17(15)12-3-6-18-7-4-12/h1-2,9,11-12,14,18H,3-8,10H2
InChIKeyDDSKLFMDKROLFQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.26
Rot. Bonds3

About 7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline

7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline (PubChem CID 68693804) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline.

Molecular Properties

Compound Name7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline
PubChem CID68693804
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline
SMILESc1nc(C2CCNCC2)c2ccc(OC3CCOC3)cc2n1
InChIInChI=1S/C17H21N3O2/c1-2-15-16(9-13(1)22-14-5-8-21-10-14)19-11-20-17(15)12-3-6-18-7-4-12/h1-2,9,11-12,14,18H,3-8,10H2
InChIKeyDDSKLFMDKROLFQ-UHFFFAOYSA-N
XLogP2.26
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-Methoxyquinazoline
CID 12213273
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
CID 23729147
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
2-Cyclohexyl-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine
CID 46224516
Src Kinase Inhibitor I
CID 1474853
2-Aminoquinazoline 20
CID 5330318
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877
6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 2808988
(7-Ethoxy-4-methylquinazolin-2-yl)(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)amine
CID 658668
N-(3-methoxyphenyl)quinazolin-4-amine
CID 712193
N~2~-(3-methoxyphenyl)-N~4~-(tetrahydro-2-furanylmethyl)-2,4-quinazolinediamine hydrochloride
CID 2951909

Frequently Asked Questions

What is the IUPAC name of 7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline?
The IUPAC name of 7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline (CID 68693804) is 7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline.
What is the SMILES notation for 7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline?
The canonical SMILES for 7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline is c1nc(C2CCNCC2)c2ccc(OC3CCOC3)cc2n1.
What is the InChIKey of 7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline?
The InChIKey is DDSKLFMDKROLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-15-16(9-13(1)22-14-5-8-21-10-14)19-11-20-17(15)12-3-6-18-7-4-12/h1-2,9,11-12,14,18H,3-8,10H2.
What are the key properties of 7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline?
7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline has a molecular weight of 299.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline is sourced from PubChem (CID 68693804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).