4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole

C22H26N2O2 — CID 144547001

IUPAC4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole
SMILESCCCc1onc(C)c1-c1cc2ncc3c(c2cc1OC)CCCCC3
InChIInChI=1S/C22H26N2O2/c1-4-8-20-22(14(2)24-26-20)18-11-19-17(12-21(18)25-3)16-10-7-5-6-9-15(16)13-23-19/h11-13H,4-10H2,1-3H3
InChIKeyYMWDNFJWNCHCPU-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.43
Rot. Bonds4

About 4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole

4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole (PubChem CID 144547001) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole.

Molecular Properties

Compound Name4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole
PubChem CID144547001
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole
SMILESCCCc1onc(C)c1-c1cc2ncc3c(c2cc1OC)CCCCC3
InChIInChI=1S/C22H26N2O2/c1-4-8-20-22(14(2)24-26-20)18-11-19-17(12-21(18)25-3)16-10-7-5-6-9-15(16)13-23-19/h11-13H,4-10H2,1-3H3
InChIKeyYMWDNFJWNCHCPU-UHFFFAOYSA-N
XLogP5.43
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole with MolForge

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-10-methyl-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-6-amine
CID 144545948
3-(1-aminoethenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinolin-4-amine
CID 89426764
8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135155449
1-(cyclohexylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 52935407
ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 144547349
8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[c][2,7]naphthyridine
CID 83528569
1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 164609567
3-[1-[(4-chlorophenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]propanenitrile
CID 70664019
4-N-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxyquinoline-3,4-diamine
CID 144820395
4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine
CID 164621563
2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydrophenanthridine;2,2,2-trifluoroacetic acid
CID 135185236
4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 166751554

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole?
The IUPAC name of 4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole (CID 144547001) is 4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole.
What is the SMILES notation for 4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole?
The canonical SMILES for 4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole is CCCc1onc(C)c1-c1cc2ncc3c(c2cc1OC)CCCCC3.
What is the InChIKey of 4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole?
The InChIKey is YMWDNFJWNCHCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-8-20-22(14(2)24-26-20)18-11-19-17(12-21(18)25-3)16-10-7-5-6-9-15(16)13-23-19/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole?
4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole has a molecular weight of 350.46 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-8,9,10,11-tetrahydro-7H-cyclohepta[c]quinolin-3-yl)-3-methyl-5-propyl-1,2-oxazole is sourced from PubChem (CID 144547001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).