3-(3-methoxypropyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide

C24H30N4O5S — CID 55520172

IUPAC3-(3-methoxypropyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
SMILESCOCCCn1c(=S)[nH]c2cc(C(=O)NCC(c3ccc(C)o3)N3CCOCC3)ccc2c1=O
InChIInChI=1S/C24H30N4O5S/c1-16-4-7-21(33-16)20(27-9-12-32-13-10-27)15-25-22(29)17-5-6-18-19(14-17)26-24(34)28(23(18)30)8-3-11-31-2/h4-7,14,20H,3,8-13,15H2,1-2H3,(H,25,29)(H,26,34)
InChIKeyBQODEZSIIWBOFM-UHFFFAOYSA-N
MW486.59 g/mol
LogP2.80
Rot. Bonds9

About 3-(3-methoxypropyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide

3-(3-methoxypropyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide (PubChem CID 55520172) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(3-methoxypropyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
PubChem CID55520172
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Name3-(3-methoxypropyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
SMILESCOCCCn1c(=S)[nH]c2cc(C(=O)NCC(c3ccc(C)o3)N3CCOCC3)ccc2c1=O
InChIInChI=1S/C24H30N4O5S/c1-16-4-7-21(33-16)20(27-9-12-32-13-10-27)15-25-22(29)17-5-6-18-19(14-17)26-24(34)28(23(18)30)8-3-11-31-2/h4-7,14,20H,3,8-13,15H2,1-2H3,(H,25,29)(H,26,34)
InChIKeyBQODEZSIIWBOFM-UHFFFAOYSA-N
XLogP2.80
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 30549337
N-[2-(diethylamino)-2-phenylethyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 46543040
3-(3-methoxypropyl)-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 46564218
N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 46451164
N-(2,2-dimethoxyethyl)-3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3341841
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 25351251
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
N-(2,2-diphenylpropyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 46541954
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 55464162
3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
CID 4641995
N-[4-(azepan-1-yl)phenyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 55480951
N-(2,3-dimethylphenyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 55430434

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-(3-methoxypropyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide (CID 55520172) is 3-(3-methoxypropyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-(3-methoxypropyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-(3-methoxypropyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide is COCCCn1c(=S)[nH]c2cc(C(=O)NCC(c3ccc(C)o3)N3CCOCC3)ccc2c1=O.
What is the InChIKey of 3-(3-methoxypropyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide?
The InChIKey is BQODEZSIIWBOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-16-4-7-21(33-16)20(27-9-12-32-13-10-27)15-25-22(29)17-5-6-18-19(14-17)26-24(34)28(23(18)30)8-3-11-31-2/h4-7,14,20H,3,8-13,15H2,1-2H3,(H,25,29)(H,26,34).
What are the key properties of 3-(3-methoxypropyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide?
3-(3-methoxypropyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide has a molecular weight of 486.59 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 55520172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).