N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide

C23H27N3O6 — CID 1457862

IUPACN-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(CC(C)C)nc3cc(OC)c(OC)cc3c2=O)c(OC)c1
InChIInChI=1S/C23H27N3O6/c1-13(2)9-21-24-17-12-20(32-6)19(31-5)11-16(17)23(28)26(21)25-22(27)15-8-7-14(29-3)10-18(15)30-4/h7-8,10-13H,9H2,1-6H3,(H,25,27)
InChIKeyOTXPZXDQNIVKAW-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.01
Rot. Bonds8

About N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide

N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide (PubChem CID 1457862) has the molecular formula C23H27N3O6 and a molecular weight of 441.48 g/mol. Its IUPAC name is N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide
PubChem CID1457862
Molecular FormulaC23H27N3O6
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC NameN-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nn2c(CC(C)C)nc3cc(OC)c(OC)cc3c2=O)c(OC)c1
InChIInChI=1S/C23H27N3O6/c1-13(2)9-21-24-17-12-20(32-6)19(31-5)11-16(17)23(28)26(21)25-22(27)15-8-7-14(29-3)10-18(15)30-4/h7-8,10-13H,9H2,1-6H3,(H,25,27)
InChIKeyOTXPZXDQNIVKAW-UHFFFAOYSA-N
XLogP3.01
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide (CID 1457862) is N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nn2c(CC(C)C)nc3cc(OC)c(OC)cc3c2=O)c(OC)c1.
What is the InChIKey of N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide?
The InChIKey is OTXPZXDQNIVKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6/c1-13(2)9-21-24-17-12-20(32-6)19(31-5)11-16(17)23(28)26(21)25-22(27)15-8-7-14(29-3)10-18(15)30-4/h7-8,10-13H,9H2,1-6H3,(H,25,27).
What are the key properties of N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide?
N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide has a molecular weight of 441.48 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dimethoxy-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 1457862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).