4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine

C22H22N4O2 — CID 144820395

IUPAC4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
SMILESCOc1cc2c(NCc3ccccc3)c(N)cnc2cc1-c1c(C)noc1C
InChIInChI=1S/C22H22N4O2/c1-13-21(14(2)28-26-13)17-9-19-16(10-20(17)27-3)22(18(23)12-24-19)25-11-15-7-5-4-6-8-15/h4-10,12H,11,23H2,1-3H3,(H,24,25)
InChIKeyWCBVNVUWENNEDY-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.71
Rot. Bonds5

About 4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine

4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine (PubChem CID 144820395) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
PubChem CID144820395
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
SMILESCOc1cc2c(NCc3ccccc3)c(N)cnc2cc1-c1c(C)noc1C
InChIInChI=1S/C22H22N4O2/c1-13-21(14(2)28-26-13)17-9-19-16(10-20(17)27-3)22(18(23)12-24-19)25-11-15-7-5-4-6-8-15/h4-10,12H,11,23H2,1-3H3,(H,24,25)
InChIKeyWCBVNVUWENNEDY-UHFFFAOYSA-N
XLogP4.71
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-(benzylamino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3-carboxamide
CID 70691698
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-N-[2-(6-methyl-2-pyridinyl)ethyl]quinoline-3,4-diamine
CID 122705107
4-N-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
CID 122446120
4-N-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
CID 122446103
3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine
CID 89426764
[4-[[(3-amino-6,7-dimethoxyquinolin-4-yl)amino]methyl]phenyl]carbamic acid
CID 139490412
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid
CID 90222565
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-(2-methoxyethyl)-3-nitroquinolin-4-amine;ethane
CID 145190462
4-[8-methoxy-1-(pyridin-2-ylmethyl)triazolo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 52932859
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one
CID 86302790
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-2-methylidene-1-[(2-methylsulfonylphenyl)methyl]-[1,3]oxazolo[5,4-c]quinoline
CID 144719025
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(4-methoxyphenyl)methoxy]-N-(pyridin-2-ylmethyl)quinolin-4-amine
CID 146049918

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine?
The IUPAC name of 4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine (CID 144820395) is 4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine.
What is the SMILES notation for 4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine?
The canonical SMILES for 4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine is COc1cc2c(NCc3ccccc3)c(N)cnc2cc1-c1c(C)noc1C.
What is the InChIKey of 4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine?
The InChIKey is WCBVNVUWENNEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-13-21(14(2)28-26-13)17-9-19-16(10-20(17)27-3)22(18(23)12-24-19)25-11-15-7-5-4-6-8-15/h4-10,12H,11,23H2,1-3H3,(H,24,25).
What are the key properties of 4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine?
4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine has a molecular weight of 374.44 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine is sourced from PubChem (CID 144820395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).