(3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate

C21H20N2O3 — CID 175253946

IUPAC(3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate
SMILESCC1(C)COc2cc(-c3ccc4ncccc4c3)ccc2C1OC(N)=O
InChIInChI=1S/C21H20N2O3/c1-21(2)12-25-18-11-14(5-7-16(18)19(21)26-20(22)24)13-6-8-17-15(10-13)4-3-9-23-17/h3-11,19H,12H2,1-2H3,(H2,22,24)
InChIKeyXTECVZIGLSOZSR-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.46
Rot. Bonds2

About (3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate

(3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate (PubChem CID 175253946) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate.

Molecular Properties

Compound Name(3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate
PubChem CID175253946
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate
SMILESCC1(C)COc2cc(-c3ccc4ncccc4c3)ccc2C1OC(N)=O
InChIInChI=1S/C21H20N2O3/c1-21(2)12-25-18-11-14(5-7-16(18)19(21)26-20(22)24)13-6-8-17-15(10-13)4-3-9-23-17/h3-11,19H,12H2,1-2H3,(H2,22,24)
InChIKeyXTECVZIGLSOZSR-UHFFFAOYSA-N
XLogP4.46
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate
CID 175253181
(3,3-dimethyl-7-pyridin-3-yl-2,4-dihydrochromen-4-yl) carbamate
CID 175253943
[7-(4-ethoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175252942
[7-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253132
[7-(2-fluoro-6-methyl-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253227
(2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate
CID 175296735
[7-(1-benzyl-6-oxo-3-pyridinyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253075
[7-[(E)-2-(3-fluorophenyl)ethenyl]-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253151
[6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253145
[6-methoxy-3,3-dimethyl-7-[4-(2-methylpropoxy)phenyl]-2,4-dihydrochromen-4-yl] carbamate
CID 175254124
7-quinolin-6-yl-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 69167722
6-(3-methylphenyl)quinoline
CID 4185278

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate?
The IUPAC name of (3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate (CID 175253946) is (3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate.
What is the SMILES notation for (3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate?
The canonical SMILES for (3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate is CC1(C)COc2cc(-c3ccc4ncccc4c3)ccc2C1OC(N)=O.
What is the InChIKey of (3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate?
The InChIKey is XTECVZIGLSOZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-21(2)12-25-18-11-14(5-7-16(18)19(21)26-20(22)24)13-6-8-17-15(10-13)4-3-9-23-17/h3-11,19H,12H2,1-2H3,(H2,22,24).
What are the key properties of (3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate?
(3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate has a molecular weight of 348.40 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate is sourced from PubChem (CID 175253946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).