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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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).