3-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide

C24H28N4O5 — CID 73216905

IUPAC3-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide
SMILESCOc1ccc(CN2C(=O)N=C3C=C(C(=O)NCCCN4CCOCC4)C=CC3C2=O)cc1
InChIInChI=1S/C24H28N4O5/c1-32-19-6-3-17(4-7-19)16-28-23(30)20-8-5-18(15-21(20)26-24(28)31)22(29)25-9-2-10-27-11-13-33-14-12-27/h3-8,15,20H,2,9-14,16H2,1H3,(H,25,29)
InChIKeyMUBWWQVYTXCHNR-UHFFFAOYSA-N
MW452.51 g/mol
LogP1.55
Rot. Bonds8

About 3-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide

3-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide (PubChem CID 73216905) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide
PubChem CID73216905
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name3-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide
SMILESCOc1ccc(CN2C(=O)N=C3C=C(C(=O)NCCCN4CCOCC4)C=CC3C2=O)cc1
InChIInChI=1S/C24H28N4O5/c1-32-19-6-3-17(4-7-19)16-28-23(30)20-8-5-18(15-21(20)26-24(28)31)22(29)25-9-2-10-27-11-13-33-14-12-27/h3-8,15,20H,2,9-14,16H2,1H3,(H,25,29)
InChIKeyMUBWWQVYTXCHNR-UHFFFAOYSA-N
XLogP1.55
TPSA100.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077525
(3R)-1-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 92696440
3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 75489147
6-methoxy-N-(3-morpholin-4-ylpropyl)furo[2,3-b]quinoline-2-carboxamide
CID 22582811
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 126479402
4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]butanamide
CID 75196755
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-[(2,4-dioxo-4aH-quinazolin-3-yl)methyl]benzamide
CID 73217734
(2R)-2-(6-methoxynaphthalen-2-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 95247391
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111181781
3-[(4-chlorophenyl)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-oxo-2-sulfanylidene-4aH-quinazoline-7-carboxamide
CID 73453170
1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 95178028

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide (CID 73216905) is 3-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide is COc1ccc(CN2C(=O)N=C3C=C(C(=O)NCCCN4CCOCC4)C=CC3C2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide?
The InChIKey is MUBWWQVYTXCHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-32-19-6-3-17(4-7-19)16-28-23(30)20-8-5-18(15-21(20)26-24(28)31)22(29)25-9-2-10-27-11-13-33-14-12-27/h3-8,15,20H,2,9-14,16H2,1H3,(H,25,29).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide?
3-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide is sourced from PubChem (CID 73216905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).