6-methoxy-4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-7-carboxylic acid

C20H21N3O6 — CID 22649328

IUPAC6-methoxy-4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-7-carboxylic acid
SMILESCOc1cc(OC)c(CNc2ncnc3cc(C(=O)O)c(OC)cc23)c(OC)c1
InChIInChI=1S/C20H21N3O6/c1-26-11-5-16(27-2)14(17(6-11)28-3)9-21-19-12-8-18(29-4)13(20(24)25)7-15(12)22-10-23-19/h5-8,10H,9H2,1-4H3,(H,24,25)(H,21,22,23)
InChIKeyIBYWWPOMUYFHFJ-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.97
Rot. Bonds8

About 6-methoxy-4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-7-carboxylic acid

6-methoxy-4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-7-carboxylic acid (PubChem CID 22649328) has the molecular formula C20H21N3O6 and a molecular weight of 399.40 g/mol. Its IUPAC name is 6-methoxy-4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-7-carboxylic acid
PubChem CID22649328
Molecular FormulaC20H21N3O6
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name6-methoxy-4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-7-carboxylic acid
SMILESCOc1cc(OC)c(CNc2ncnc3cc(C(=O)O)c(OC)cc23)c(OC)c1
InChIInChI=1S/C20H21N3O6/c1-26-11-5-16(27-2)14(17(6-11)28-3)9-21-19-12-8-18(29-4)13(20(24)25)7-15(12)22-10-23-19/h5-8,10H,9H2,1-4H3,(H,24,25)(H,21,22,23)
InChIKeyIBYWWPOMUYFHFJ-UHFFFAOYSA-N
XLogP2.97
TPSA112.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-7-carboxylic acid?
The IUPAC name of 6-methoxy-4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-7-carboxylic acid (CID 22649328) is 6-methoxy-4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-7-carboxylic acid.
What is the SMILES notation for 6-methoxy-4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-7-carboxylic acid?
The canonical SMILES for 6-methoxy-4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-7-carboxylic acid is COc1cc(OC)c(CNc2ncnc3cc(C(=O)O)c(OC)cc23)c(OC)c1.
What is the InChIKey of 6-methoxy-4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-7-carboxylic acid?
The InChIKey is IBYWWPOMUYFHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6/c1-26-11-5-16(27-2)14(17(6-11)28-3)9-21-19-12-8-18(29-4)13(20(24)25)7-15(12)22-10-23-19/h5-8,10H,9H2,1-4H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-methoxy-4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-7-carboxylic acid?
6-methoxy-4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-7-carboxylic acid has a molecular weight of 399.40 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[(2,4,6-trimethoxyphenyl)methylamino]quinazoline-7-carboxylic acid is sourced from PubChem (CID 22649328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).