5-chloro-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline

C14H14Cl2N2O2 — CID 118058534

IUPAC5-chloro-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline
SMILESClCc1nc(OCC2CCOC2)c2c(Cl)cccc2n1
InChIInChI=1S/C14H14Cl2N2O2/c15-6-12-17-11-3-1-2-10(16)13(11)14(18-12)20-8-9-4-5-19-7-9/h1-3,9H,4-8H2
InChIKeyGTRLYPNIDJLCHD-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.44
Rot. Bonds4

About 5-chloro-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline

5-chloro-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline (PubChem CID 118058534) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 5-chloro-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline.

Molecular Properties

Compound Name5-chloro-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline
PubChem CID118058534
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name5-chloro-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline
SMILESClCc1nc(OCC2CCOC2)c2c(Cl)cccc2n1
InChIInChI=1S/C14H14Cl2N2O2/c15-6-12-17-11-3-1-2-10(16)13(11)14(18-12)20-8-9-4-5-19-7-9/h1-3,9H,4-8H2
InChIKeyGTRLYPNIDJLCHD-UHFFFAOYSA-N
XLogP3.44
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.44
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
2-chloro-6-(oxolan-3-ylmethoxy)pyridine
CID 63586868
7-chloro-2-(chloromethyl)-4-[2-(oxolan-3-yl)ethoxy]quinazoline
CID 118058554
2-chloro-6-(oxolan-3-ylmethoxy)aniline
CID 104835038
4-(oxolan-3-ylmethoxy)quinazolin-2-amine
CID 80873939
[5-chloro-6-(oxolan-3-ylmethoxy)-3-pyridinyl]methanamine
CID 62322087
6-chloro-4-(oxolan-3-ylmethoxy)pyrido[3,2-d]pyrimidin-2-amine
CID 24958396
4-chloro-5-methyl-6-(oxolan-3-ylmethoxy)-2-propylpyrimidine
CID 80973930
3-N-[[7-chloro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]pyridine-2,3-diamine
CID 123552648
5-chloro-2-(oxolan-3-ylmethoxy)pyridine
CID 66234571
7-chloro-N-(oxolan-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 62823828
3,6-dichloro-2-(oxolan-3-ylmethoxymethyl)pyridine
CID 62885453

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline?
The IUPAC name of 5-chloro-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline (CID 118058534) is 5-chloro-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline.
What is the SMILES notation for 5-chloro-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline?
The canonical SMILES for 5-chloro-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline is ClCc1nc(OCC2CCOC2)c2c(Cl)cccc2n1.
What is the InChIKey of 5-chloro-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline?
The InChIKey is GTRLYPNIDJLCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c15-6-12-17-11-3-1-2-10(16)13(11)14(18-12)20-8-9-4-5-19-7-9/h1-3,9H,4-8H2.
What are the key properties of 5-chloro-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline?
5-chloro-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline has a molecular weight of 313.18 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(chloromethyl)-4-(oxolan-3-ylmethoxy)quinazoline is sourced from PubChem (CID 118058534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).