2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline

C17H22ClN3O2 — CID 22693293

IUPAC2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline
SMILESCCC1CCCCN1c1nc(Cl)nc2cc(OC)c(OC)cc12
InChIInChI=1S/C17H22ClN3O2/c1-4-11-7-5-6-8-21(11)16-12-9-14(22-2)15(23-3)10-13(12)19-17(18)20-16/h9-11H,4-8H2,1-3H3
InChIKeyYUJBSLFSQWAJKP-UHFFFAOYSA-N
MW335.84 g/mol
LogP4.07
Rot. Bonds4

About 2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline

2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline (PubChem CID 22693293) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline
PubChem CID22693293
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline
SMILESCCC1CCCCN1c1nc(Cl)nc2cc(OC)c(OC)cc12
InChIInChI=1S/C17H22ClN3O2/c1-4-11-7-5-6-8-21(11)16-12-9-14(22-2)15(23-3)10-13(12)19-17(18)20-16/h9-11H,4-8H2,1-3H3
InChIKeyYUJBSLFSQWAJKP-UHFFFAOYSA-N
XLogP4.07
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol
CID 175341793
2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592
2-cyclohexyl-6,7-dimethoxy-4-piperidin-1-ylquinazoline
CID 134111359
[1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane
CID 142498271
2-chloro-4-(2-ethylpyrrolidin-1-yl)-5-methylpyrimidine
CID 79075237
2-chloro-N-(cyclopropylmethyl)-6,7-dimethoxyquinazolin-4-amine
CID 91756722
2-chloro-6-methyl-4-(2-propylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 103322314
6-chloro-4-(2-propylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 83056224
4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 112925932
N-(5-chloro-2,4-dimethoxyphenyl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492531
1-[6-methoxy-2-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperidin-2-ol
CID 163722459
3-chloro-4-(2-ethylazepan-1-yl)-1,2,5-thiadiazole
CID 104691103

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline?
The IUPAC name of 2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline (CID 22693293) is 2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline.
What is the SMILES notation for 2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline?
The canonical SMILES for 2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline is CCC1CCCCN1c1nc(Cl)nc2cc(OC)c(OC)cc12.
What is the InChIKey of 2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline?
The InChIKey is YUJBSLFSQWAJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-4-11-7-5-6-8-21(11)16-12-9-14(22-2)15(23-3)10-13(12)19-17(18)20-16/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline?
2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline has a molecular weight of 335.84 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-ethylpiperidin-1-yl)-6,7-dimethoxyquinazoline is sourced from PubChem (CID 22693293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).