N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C23H28N4O4 — CID 137301546

IUPACN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCc1ccc(C(CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)N2CCOCC2)o1
InChIInChI=1S/C23H28N4O4/c1-16-9-10-20(31-16)19(27-11-13-30-14-12-27)15-24-22(28)8-4-7-21-25-18-6-3-2-5-17(18)23(29)26-21/h2-3,5-6,9-10,19H,4,7-8,11-15H2,1H3,(H,24,28)(H,25,26,29)
InChIKeyIZOZMHIGKWGGHS-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.34
Rot. Bonds8

About N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 137301546) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID137301546
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCc1ccc(C(CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)N2CCOCC2)o1
InChIInChI=1S/C23H28N4O4/c1-16-9-10-20(31-16)19(27-11-13-30-14-12-27)15-24-22(28)8-4-7-21-25-18-6-3-2-5-17(18)23(29)26-21/h2-3,5-6,9-10,19H,4,7-8,11-15H2,1H3,(H,24,28)(H,25,26,29)
InChIKeyIZOZMHIGKWGGHS-UHFFFAOYSA-N
XLogP2.34
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide
CID 55454179
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenoxypropanamide
CID 95577240
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide
CID 51283099
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 96558233
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-naphthalen-1-yloxyacetamide
CID 26006499
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-phenylsulfanylacetamide
CID 134039005
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32707918
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 31615402
2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide
CID 134056195
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 18168885
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 137301546) is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is Cc1ccc(C(CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)N2CCOCC2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is IZOZMHIGKWGGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-16-9-10-20(31-16)19(27-11-13-30-14-12-27)15-24-22(28)8-4-7-21-25-18-6-3-2-5-17(18)23(29)26-21/h2-3,5-6,9-10,19H,4,7-8,11-15H2,1H3,(H,24,28)(H,25,26,29).
What are the key properties of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 424.50 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 137301546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).