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

Erlotinib
CID 176870
Terazosin
CID 5401
Alfuzosin Hydrochloride
CID 71764
Erlotinib Hydrochloride
CID 176871
N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
CID 2051
Tandutinib
CID 3038522
Bunazosin
CID 2472
Terazosin Hydrochloride Anhydrous
CID 44383
Icotinib
CID 22024915
PD-153035
CID 4705
Terazosin Hydrochloride
CID 63016
2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
CID 616267

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).