6-amino-3-(2-methoxyethyl)-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione

C18H26N4O4 — CID 168952908

IUPAC6-amino-3-(2-methoxyethyl)-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
SMILESCOCCn1c(=O)c2cc(N)ccc2n(CCCN2CCOCC2)c1=O
InChIInChI=1S/C18H26N4O4/c1-25-10-9-22-17(23)15-13-14(19)3-4-16(15)21(18(22)24)6-2-5-20-7-11-26-12-8-20/h3-4,13H,2,5-12,19H2,1H3
InChIKeyGREUWRLNAIOQCP-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.11
Rot. Bonds7

About 6-amino-3-(2-methoxyethyl)-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione

6-amino-3-(2-methoxyethyl)-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione (PubChem CID 168952908) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-amino-3-(2-methoxyethyl)-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name6-amino-3-(2-methoxyethyl)-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
PubChem CID168952908
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name6-amino-3-(2-methoxyethyl)-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
SMILESCOCCn1c(=O)c2cc(N)ccc2n(CCCN2CCOCC2)c1=O
InChIInChI=1S/C18H26N4O4/c1-25-10-9-22-17(23)15-13-14(19)3-4-16(15)21(18(22)24)6-2-5-20-7-11-26-12-8-20/h3-4,13H,2,5-12,19H2,1H3
InChIKeyGREUWRLNAIOQCP-UHFFFAOYSA-N
XLogP0.11
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-amino-3-(2-ethoxyethyl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione
CID 168952788
3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
CID 71495168
9-(10-morpholin-4-yldecyl)carbazole-2,7-diamine
CID 140846811
6-amino-2-methyl-3-(2-morpholin-4-ylethyl)quinazolin-4-one
CID 92565209
3-methyl-4-(3-morpholin-4-ylpropoxy)aniline
CID 171834800
1-(3-morpholin-4-ylpropyl)indol-5-amine
CID 170992123
1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione
CID 46223528
6-amino-3-(1-methylpiperidin-4-yl)-1-(2-piperidin-1-ylethyl)quinazoline-2,4-dione
CID 168952755
6-amino-3-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)quinazolin-4-one
CID 162429394
3-chloro-4-(3-morpholin-4-ylpropoxy)aniline
CID 123911683
5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde
CID 4769907
6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one
CID 67560491

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2-methoxyethyl)-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione?
The IUPAC name of 6-amino-3-(2-methoxyethyl)-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione (CID 168952908) is 6-amino-3-(2-methoxyethyl)-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione.
What is the SMILES notation for 6-amino-3-(2-methoxyethyl)-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione?
The canonical SMILES for 6-amino-3-(2-methoxyethyl)-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione is COCCn1c(=O)c2cc(N)ccc2n(CCCN2CCOCC2)c1=O.
What is the InChIKey of 6-amino-3-(2-methoxyethyl)-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione?
The InChIKey is GREUWRLNAIOQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-25-10-9-22-17(23)15-13-14(19)3-4-16(15)21(18(22)24)6-2-5-20-7-11-26-12-8-20/h3-4,13H,2,5-12,19H2,1H3.
What are the key properties of 6-amino-3-(2-methoxyethyl)-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione?
6-amino-3-(2-methoxyethyl)-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of 0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-methoxyethyl)-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione is sourced from PubChem (CID 168952908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).