2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid

C19H25N3O6 — CID 120581059

IUPAC2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid
SMILESCOc1cc2ncn(CCCC(=O)N(CC(=O)O)C(C)C)c(=O)c2cc1OC
InChIInChI=1S/C19H25N3O6/c1-12(2)22(10-18(24)25)17(23)6-5-7-21-11-20-14-9-16(28-4)15(27-3)8-13(14)19(21)26/h8-9,11-12H,5-7,10H2,1-4H3,(H,24,25)
InChIKeyGDNPZGLUQBJOCW-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.52
Rot. Bonds9

About 2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid

2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid (PubChem CID 120581059) has the molecular formula C19H25N3O6 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid
PubChem CID120581059
Molecular FormulaC19H25N3O6
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid
SMILESCOc1cc2ncn(CCCC(=O)N(CC(=O)O)C(C)C)c(=O)c2cc1OC
InChIInChI=1S/C19H25N3O6/c1-12(2)22(10-18(24)25)17(23)6-5-7-21-11-20-14-9-16(28-4)15(27-3)8-13(14)19(21)26/h8-9,11-12H,5-7,10H2,1-4H3,(H,24,25)
InChIKeyGDNPZGLUQBJOCW-UHFFFAOYSA-N
XLogP1.52
TPSA110.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid (CID 120581059) is 2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid is COc1cc2ncn(CCCC(=O)N(CC(=O)O)C(C)C)c(=O)c2cc1OC.
What is the InChIKey of 2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid?
The InChIKey is GDNPZGLUQBJOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6/c1-12(2)22(10-18(24)25)17(23)6-5-7-21-11-20-14-9-16(28-4)15(27-3)8-13(14)19(21)26/h8-9,11-12H,5-7,10H2,1-4H3,(H,24,25).
What are the key properties of 2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid?
2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid has a molecular weight of 391.42 g/mol, XLogP of 1.52, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 120581059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).