2,4-diamino-2,6-bis(2-methoxyphenyl)quinazoline-6-carboxylic acid

C23H22N4O4 — CID 69175057

IUPAC2,4-diamino-2,6-bis(2-methoxyphenyl)quinazoline-6-carboxylic acid
SMILESCOc1ccccc1C1(N)N=C(N)C2=CC(C(=O)O)(c3ccccc3OC)C=CC2=N1
InChIInChI=1S/C23H22N4O4/c1-30-18-9-5-3-7-15(18)22(21(28)29)12-11-17-14(13-22)20(24)27-23(25,26-17)16-8-4-6-10-19(16)31-2/h3-13H,25H2,1-2H3,(H2,24,27)(H,28,29)
InChIKeyDUWZDOSTNWOKTI-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.10
Rot. Bonds5

About 2,4-diamino-2,6-bis(2-methoxyphenyl)quinazoline-6-carboxylic acid

2,4-diamino-2,6-bis(2-methoxyphenyl)quinazoline-6-carboxylic acid (PubChem CID 69175057) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2,4-diamino-2,6-bis(2-methoxyphenyl)quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2,4-diamino-2,6-bis(2-methoxyphenyl)quinazoline-6-carboxylic acid
PubChem CID69175057
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name2,4-diamino-2,6-bis(2-methoxyphenyl)quinazoline-6-carboxylic acid
SMILESCOc1ccccc1C1(N)N=C(N)C2=CC(C(=O)O)(c3ccccc3OC)C=CC2=N1
InChIInChI=1S/C23H22N4O4/c1-30-18-9-5-3-7-15(18)22(21(28)29)12-11-17-14(13-22)20(24)27-23(25,26-17)16-8-4-6-10-19(16)31-2/h3-13H,25H2,1-2H3,(H2,24,27)(H,28,29)
InChIKeyDUWZDOSTNWOKTI-UHFFFAOYSA-N
XLogP2.10
TPSA132.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-2,6-bis(2-methoxyphenyl)quinazoline-6-carboxylic acid?
The IUPAC name of 2,4-diamino-2,6-bis(2-methoxyphenyl)quinazoline-6-carboxylic acid (CID 69175057) is 2,4-diamino-2,6-bis(2-methoxyphenyl)quinazoline-6-carboxylic acid.
What is the SMILES notation for 2,4-diamino-2,6-bis(2-methoxyphenyl)quinazoline-6-carboxylic acid?
The canonical SMILES for 2,4-diamino-2,6-bis(2-methoxyphenyl)quinazoline-6-carboxylic acid is COc1ccccc1C1(N)N=C(N)C2=CC(C(=O)O)(c3ccccc3OC)C=CC2=N1.
What is the InChIKey of 2,4-diamino-2,6-bis(2-methoxyphenyl)quinazoline-6-carboxylic acid?
The InChIKey is DUWZDOSTNWOKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-30-18-9-5-3-7-15(18)22(21(28)29)12-11-17-14(13-22)20(24)27-23(25,26-17)16-8-4-6-10-19(16)31-2/h3-13H,25H2,1-2H3,(H2,24,27)(H,28,29).
What are the key properties of 2,4-diamino-2,6-bis(2-methoxyphenyl)quinazoline-6-carboxylic acid?
2,4-diamino-2,6-bis(2-methoxyphenyl)quinazoline-6-carboxylic acid has a molecular weight of 418.45 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-2,6-bis(2-methoxyphenyl)quinazoline-6-carboxylic acid is sourced from PubChem (CID 69175057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).