N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide

C24H22ClN3O5 — CID 18887265

IUPACN-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN2C(=O)c3cc(Cl)ccc3NC2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H22ClN3O5/c1-31-17-8-4-14(5-9-17)23(29)27-28-22(15-6-11-20(32-2)21(12-15)33-3)26-19-10-7-16(25)13-18(19)24(28)30/h4-13,22,26H,1-3H3,(H,27,29)
InChIKeyDEQFZCPHDLOVRA-UHFFFAOYSA-N
MW467.91 g/mol
LogP4.28
Rot. Bonds6

About N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide

N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide (PubChem CID 18887265) has the molecular formula C24H22ClN3O5 and a molecular weight of 467.91 g/mol. Its IUPAC name is N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide
PubChem CID18887265
Molecular FormulaC24H22ClN3O5
Molecular Weight467.91 g/mol
Exact Mass467.12
IUPAC NameN-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN2C(=O)c3cc(Cl)ccc3NC2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H22ClN3O5/c1-31-17-8-4-14(5-9-17)23(29)27-28-22(15-6-11-20(32-2)21(12-15)33-3)26-19-10-7-16(25)13-18(19)24(28)30/h4-13,22,26H,1-3H3,(H,27,29)
InChIKeyDEQFZCPHDLOVRA-UHFFFAOYSA-N
XLogP4.28
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.91
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide (CID 18887265) is N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)NN2C(=O)c3cc(Cl)ccc3NC2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide?
The InChIKey is DEQFZCPHDLOVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O5/c1-31-17-8-4-14(5-9-17)23(29)27-28-22(15-6-11-20(32-2)21(12-15)33-3)26-19-10-7-16(25)13-18(19)24(28)30/h4-13,22,26H,1-3H3,(H,27,29).
What are the key properties of N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide?
N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide has a molecular weight of 467.91 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 18887265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).