7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline

C15H16Cl2N2O2 — CID 118058554

IUPAC7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline
SMILESClCc1nc(OCCC2CCOC2)c2ccc(Cl)cc2n1
InChIInChI=1S/C15H16Cl2N2O2/c16-8-14-18-13-7-11(17)1-2-12(13)15(19-14)21-6-4-10-3-5-20-9-10/h1-2,7,10H,3-6,8-9H2
InChIKeyDZNDJFGKJSYHCO-UHFFFAOYSA-N
MW327.21 g/mol
LogP3.83
Rot. Bonds5

About 7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline

7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline (PubChem CID 118058554) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline.

Molecular Properties

Compound Name7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline
PubChem CID118058554
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline
SMILESClCc1nc(OCCC2CCOC2)c2ccc(Cl)cc2n1
InChIInChI=1S/C15H16Cl2N2O2/c16-8-14-18-13-7-11(17)1-2-12(13)15(19-14)21-6-4-10-3-5-20-9-10/h1-2,7,10H,3-6,8-9H2
InChIKeyDZNDJFGKJSYHCO-UHFFFAOYSA-N
XLogP3.83
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline
CID 118058555
3-N-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyridine-2,3-diamine
CID 123552648
5-chloro-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline
CID 118058534
6-chloro-2-(chloromethyl)-1-(oxolan-3-ylmethyl)benzimidazole
CID 113316358
1-[[7-chloro-4-(oxolan-3-yloxy)quinazolin-2-yl]methyl]-3-cyclopropylimidazo[4,5-b]pyridin-2-one
CID 118058522
4-(oxolan-3-ylmethoxy)quinazolin-2-amine
CID 80873939
7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid
CID 113483506
5-chloro-2-(oxolan-3-ylmethoxy)pyridine
CID 66234571
[4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 63081811
1,4-dichloro-2-(2-cyclohexylethoxy)benzene
CID 114193047
5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline
CID 62385301
(3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol
CID 91777937

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline?
The IUPAC name of 7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline (CID 118058554) is 7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline.
What is the SMILES notation for 7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline?
The canonical SMILES for 7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline is ClCc1nc(OCCC2CCOC2)c2ccc(Cl)cc2n1.
What is the InChIKey of 7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline?
The InChIKey is DZNDJFGKJSYHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c16-8-14-18-13-7-11(17)1-2-12(13)15(19-14)21-6-4-10-3-5-20-9-10/h1-2,7,10H,3-6,8-9H2.
What are the key properties of 7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline?
7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline has a molecular weight of 327.21 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline is sourced from PubChem (CID 118058554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).