tert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate

C19H23ClN2O4 — CID 164596786

IUPACtert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate
SMILESCOc1cc2nccc(Cl)c2cc1C1(OC)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H23ClN2O4/c1-18(2,3)26-17(23)22-10-19(11-22,25-5)13-8-12-14(20)6-7-21-15(12)9-16(13)24-4/h6-9H,10-11H2,1-5H3
InChIKeyYWRDTNIYFHKZPD-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.99
Rot. Bonds3

About tert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate

tert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate (PubChem CID 164596786) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is tert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate
PubChem CID164596786
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Nametert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate
SMILESCOc1cc2nccc(Cl)c2cc1C1(OC)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H23ClN2O4/c1-18(2,3)26-17(23)22-10-19(11-22,25-5)13-8-12-14(20)6-7-21-15(12)9-16(13)24-4/h6-9H,10-11H2,1-5H3
InChIKeyYWRDTNIYFHKZPD-UHFFFAOYSA-N
XLogP3.99
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-(5-chloro-2-methoxyphenyl)-4-methoxypiperidine-1-carboxylate
CID 58772528
tert-butyl 3-[4-[3-chloro-4-(difluoromethoxy)anilino]-7-methoxyquinazolin-6-yl]-3-methylazetidine-1-carboxylate
CID 166539939
tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 157041209
tert-butyl 3-[4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-7-methoxyquinolin-6-yl]-3-hydroxyazetidine-1-carboxylate
CID 159155556
(4-chloro-7-methoxyquinolin-6-yl)carbamic acid
CID 22936428
4-chloro-6-isocyano-7-methoxyquinoline
CID 59712237
tert-butyl 3-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]-3-(methylcarbamoyl)azetidine-1-carboxylate
CID 69047412
tert-butyl 4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinolin-6-yl]oxypiperidine-1-carboxylate
CID 155669689
tert-butyl 3,3-dimethylpyrrolidine-1-carboxylate;3-chloro-2-methoxypyridine
CID 156848103
tert-butyl 4-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate
CID 68503586
tert-butyl 3-[4-(3,4-dichloro-2-methylanilino)-7-methoxyquinazolin-6-yl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 146246295
tert-butyl 8-(6-acetyloxy-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 157041014

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate (CID 164596786) is tert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate is COc1cc2nccc(Cl)c2cc1C1(OC)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate?
The InChIKey is YWRDTNIYFHKZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c1-18(2,3)26-17(23)22-10-19(11-22,25-5)13-8-12-14(20)6-7-21-15(12)9-16(13)24-4/h6-9H,10-11H2,1-5H3.
What are the key properties of tert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate?
tert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate has a molecular weight of 378.86 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate is sourced from PubChem (CID 164596786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).