N-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide

C27H29N3O7 — CID 3487606

IUPACN-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide
SMILESCCOc1ccc(OC)c(C2Nc3ccccc3C(=O)N2NC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C27H29N3O7/c1-6-37-17-11-12-21(33-2)19(15-17)25-28-20-10-8-7-9-18(20)27(32)30(25)29-26(31)16-13-22(34-3)24(36-5)23(14-16)35-4/h7-15,25,28H,6H2,1-5H3,(H,29,31)
InChIKeyYOLMRQHFUDPNRE-UHFFFAOYSA-N
MW507.54 g/mol
LogP4.03
Rot. Bonds9

About N-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide

N-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide (PubChem CID 3487606) has the molecular formula C27H29N3O7 and a molecular weight of 507.54 g/mol. Its IUPAC name is N-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide
PubChem CID3487606
Molecular FormulaC27H29N3O7
Molecular Weight507.54 g/mol
Exact Mass507.20
IUPAC NameN-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide
SMILESCCOc1ccc(OC)c(C2Nc3ccccc3C(=O)N2NC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C27H29N3O7/c1-6-37-17-11-12-21(33-2)19(15-17)25-28-20-10-8-7-9-18(20)27(32)30(25)29-26(31)16-13-22(34-3)24(36-5)23(14-16)35-4/h7-15,25,28H,6H2,1-5H3,(H,29,31)
InChIKeyYOLMRQHFUDPNRE-UHFFFAOYSA-N
XLogP4.03
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.54
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide (CID 3487606) is N-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide is CCOc1ccc(OC)c(C2Nc3ccccc3C(=O)N2NC(=O)c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of N-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is YOLMRQHFUDPNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O7/c1-6-37-17-11-12-21(33-2)19(15-17)25-28-20-10-8-7-9-18(20)27(32)30(25)29-26(31)16-13-22(34-3)24(36-5)23(14-16)35-4/h7-15,25,28H,6H2,1-5H3,(H,29,31).
What are the key properties of N-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide?
N-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 507.54 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 3487606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).