2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one

C27H29N3O4 — CID 3815267

IUPAC2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3NC2c2ccc(OC)c(CN3CCOCC3)c2)cc1
InChIInChI=1S/C27H29N3O4/c1-32-22-10-8-21(9-11-22)30-26(28-24-6-4-3-5-23(24)27(30)31)19-7-12-25(33-2)20(17-19)18-29-13-15-34-16-14-29/h3-12,17,26,28H,13-16,18H2,1-2H3
InChIKeyMCKMUGODDKDTJT-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.31
Rot. Bonds6

About 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one

2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 3815267) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID3815267
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC Name2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3NC2c2ccc(OC)c(CN3CCOCC3)c2)cc1
InChIInChI=1S/C27H29N3O4/c1-32-22-10-8-21(9-11-22)30-26(28-24-6-4-3-5-23(24)27(30)31)19-7-12-25(33-2)20(17-19)18-29-13-15-34-16-14-29/h3-12,17,26,28H,13-16,18H2,1-2H3
InChIKeyMCKMUGODDKDTJT-UHFFFAOYSA-N
XLogP4.31
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 3815267) is 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1ccc(N2C(=O)c3ccccc3NC2c2ccc(OC)c(CN3CCOCC3)c2)cc1.
What is the InChIKey of 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is MCKMUGODDKDTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-32-22-10-8-21(9-11-22)30-26(28-24-6-4-3-5-23(24)27(30)31)19-7-12-25(33-2)20(17-19)18-29-13-15-34-16-14-29/h3-12,17,26,28H,13-16,18H2,1-2H3.
What are the key properties of 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 459.55 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3815267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).