5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

C30H31NO3 — CID 10275917

IUPAC5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCOc1cccc2c1-c1ccc3c(c1C(c1cccc(OCC4CC4)c1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C30H31NO3/c1-18-16-30(2,3)31-23-14-13-22-27-24(32-4)9-6-10-25(27)34-29(28(22)26(18)23)20-7-5-8-21(15-20)33-17-19-11-12-19/h5-10,13-16,19,29,31H,11-12,17H2,1-4H3
InChIKeyIKOCYBFWVMCTGR-UHFFFAOYSA-N
MW453.58 g/mol
LogP7.24
Rot. Bonds5

About 5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 10275917) has the molecular formula C30H31NO3 and a molecular weight of 453.58 g/mol. Its IUPAC name is 5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID10275917
Molecular FormulaC30H31NO3
Molecular Weight453.58 g/mol
Exact Mass453.23
IUPAC Name5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCOc1cccc2c1-c1ccc3c(c1C(c1cccc(OCC4CC4)c1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C30H31NO3/c1-18-16-30(2,3)31-23-14-13-22-27-24(32-4)9-6-10-25(27)34-29(28(22)26(18)23)20-7-5-8-21(15-20)33-17-19-11-12-19/h5-10,13-16,19,29,31H,11-12,17H2,1-4H3
InChIKeyIKOCYBFWVMCTGR-UHFFFAOYSA-N
XLogP7.24
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.58
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline with MolForge

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Related Compounds

10-methoxy-2,2,4-trimethyl-5-[3-(methylsulfonylmethoxy)phenyl]-1,5-dihydrochromeno[3,4-f]quinoline
CID 22926346
[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] trifluoromethanesulfonate
CID 22314923
10-methoxy-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10295228
2-[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]-N,N-dimethylethanamine
CID 22314972
10-(cyclopropylmethoxy)-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10949091
5-(cyclohexen-1-yl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22315040
8-fluoro-10-methoxy-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22314985
10-methoxy-2,2,4-trimethyl-5-(3-methylbut-3-enyl)-1,5-dihydrochromeno[3,4-f]quinoline
CID 10193923
10-methoxy-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 22314901
acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol
CID 22315014
5-cyclooct-2-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 74972411
5-(2-cyclohexylideneethyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 23552301

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 10275917) is 5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is COc1cccc2c1-c1ccc3c(c1C(c1cccc(OCC4CC4)c1)O2)C(C)=CC(C)(C)N3.
What is the InChIKey of 5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is IKOCYBFWVMCTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO3/c1-18-16-30(2,3)31-23-14-13-22-27-24(32-4)9-6-10-25(27)34-29(28(22)26(18)23)20-7-5-8-21(15-20)33-17-19-11-12-19/h5-10,13-16,19,29,31H,11-12,17H2,1-4H3.
What are the key properties of 5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 453.58 g/mol, XLogP of 7.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 10275917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).