4-(3-bromo-4,5-dimethoxyphenyl)-9-methyl-4H-pyrano[3,2-h]quinolin-2-amine

C21H19BrN2O3 — CID 141338014

IUPAC4-(3-bromo-4,5-dimethoxyphenyl)-9-methyl-4H-pyrano[3,2-h]quinolin-2-amine
SMILESCOc1cc(C2C=C(N)Oc3c2ccc2ccc(C)nc32)cc(Br)c1OC
InChIInChI=1S/C21H19BrN2O3/c1-11-4-5-12-6-7-14-15(10-18(23)27-20(14)19(12)24-11)13-8-16(22)21(26-3)17(9-13)25-2/h4-10,15H,23H2,1-3H3
InChIKeyHXPFTVUPNIDPKO-UHFFFAOYSA-N
MW427.30 g/mol
LogP4.65
Rot. Bonds3

About 4-(3-bromo-4,5-dimethoxyphenyl)-9-methyl-4H-pyrano[3,2-h]quinolin-2-amine

4-(3-bromo-4,5-dimethoxyphenyl)-9-methyl-4H-pyrano[3,2-h]quinolin-2-amine (PubChem CID 141338014) has the molecular formula C21H19BrN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is 4-(3-bromo-4,5-dimethoxyphenyl)-9-methyl-4H-pyrano[3,2-h]quinolin-2-amine.

Molecular Properties

Compound Name4-(3-bromo-4,5-dimethoxyphenyl)-9-methyl-4H-pyrano[3,2-h]quinolin-2-amine
PubChem CID141338014
Molecular FormulaC21H19BrN2O3
Molecular Weight427.30 g/mol
Exact Mass426.06
IUPAC Name4-(3-bromo-4,5-dimethoxyphenyl)-9-methyl-4H-pyrano[3,2-h]quinolin-2-amine
SMILESCOc1cc(C2C=C(N)Oc3c2ccc2ccc(C)nc32)cc(Br)c1OC
InChIInChI=1S/C21H19BrN2O3/c1-11-4-5-12-6-7-14-15(10-18(23)27-20(14)19(12)24-11)13-8-16(22)21(26-3)17(9-13)25-2/h4-10,15H,23H2,1-3H3
InChIKeyHXPFTVUPNIDPKO-UHFFFAOYSA-N
XLogP4.65
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromo-4,5-dimethoxyphenyl)-2-imino-9-(methylamino)-3,4-dihydropyrano[3,2-h]quinoline-3-carbonitrile
CID 123396295
4-(3-bromo-4,5-dimethoxyphenyl)-7-methyl-3,4-dihydropyrano[2,3-e]indol-2-one
CID 10001933
(4S)-2,7-diamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile
CID 51688662
lithium 5-bromo-8-methoxy-2-methyl-7-sulfinatoquinoline
CID 20643086
(4S)-2-amino-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 1281946
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 133300412
5,7-dibromo-2-ethylquinolin-8-ol;2-ethyl-8-methoxyquinoline;2-ethylquinolin-8-ol;8-methoxy-2-methylquinoline
CID 160831320
5,6-dimethoxy-2,4-dimethylquinolin-8-amine
CID 612479
2-[[4-(3-bromo-4,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]oxy]ethanamine
CID 10365829
ethyl (4R)-6-amino-4-(3-bromo-4,5-dimethoxyphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 1096082
3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline
CID 43352151
6,8-dimethoxy-2-methylquinoline
CID 14936500

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4,5-dimethoxyphenyl)-9-methyl-4H-pyrano[3,2-h]quinolin-2-amine?
The IUPAC name of 4-(3-bromo-4,5-dimethoxyphenyl)-9-methyl-4H-pyrano[3,2-h]quinolin-2-amine (CID 141338014) is 4-(3-bromo-4,5-dimethoxyphenyl)-9-methyl-4H-pyrano[3,2-h]quinolin-2-amine.
What is the SMILES notation for 4-(3-bromo-4,5-dimethoxyphenyl)-9-methyl-4H-pyrano[3,2-h]quinolin-2-amine?
The canonical SMILES for 4-(3-bromo-4,5-dimethoxyphenyl)-9-methyl-4H-pyrano[3,2-h]quinolin-2-amine is COc1cc(C2C=C(N)Oc3c2ccc2ccc(C)nc32)cc(Br)c1OC.
What is the InChIKey of 4-(3-bromo-4,5-dimethoxyphenyl)-9-methyl-4H-pyrano[3,2-h]quinolin-2-amine?
The InChIKey is HXPFTVUPNIDPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3/c1-11-4-5-12-6-7-14-15(10-18(23)27-20(14)19(12)24-11)13-8-16(22)21(26-3)17(9-13)25-2/h4-10,15H,23H2,1-3H3.
What are the key properties of 4-(3-bromo-4,5-dimethoxyphenyl)-9-methyl-4H-pyrano[3,2-h]quinolin-2-amine?
4-(3-bromo-4,5-dimethoxyphenyl)-9-methyl-4H-pyrano[3,2-h]quinolin-2-amine has a molecular weight of 427.30 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4,5-dimethoxyphenyl)-9-methyl-4H-pyrano[3,2-h]quinolin-2-amine is sourced from PubChem (CID 141338014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).