5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide

C27H34N4O4 — CID 27371259

IUPAC5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)NCCCc2ccccc2)c1=O
InChIInChI=1S/C27H34N4O4/c1-20(2)29-24(32)16-8-9-18-30-26(34)22-14-6-7-15-23(22)31(27(30)35)19-25(33)28-17-10-13-21-11-4-3-5-12-21/h3-7,11-12,14-15,20H,8-10,13,16-19H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyJLACLKLGVLBPCP-UHFFFAOYSA-N
MW478.59 g/mol
LogP2.61
Rot. Bonds12

About 5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide

5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide (PubChem CID 27371259) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is 5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide
PubChem CID27371259
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC Name5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)NCCCc2ccccc2)c1=O
InChIInChI=1S/C27H34N4O4/c1-20(2)29-24(32)16-8-9-18-30-26(34)22-14-6-7-15-23(22)31(27(30)35)19-25(33)28-17-10-13-21-11-4-3-5-12-21/h3-7,11-12,14-15,20H,8-10,13,16-19H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyJLACLKLGVLBPCP-UHFFFAOYSA-N
XLogP2.61
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 51046638
5-[1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
CID 50762752
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-methylbutyl)acetamide
CID 51046610
5-[2,4-dioxo-1-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]quinazolin-3-yl]-N-(2-methylpropyl)pentanamide
CID 50763343
5-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
CID 50762797
5-[1-[2-(butylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50742859
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 46860998
methyl 4-[[2-[2,4-dioxo-3-[5-oxo-5-(propan-2-ylamino)pentyl]quinazolin-1-yl]acetyl]amino]benzoate
CID 27371261
5-[2,4-dioxo-1-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]quinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
CID 94071172
5-[1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
CID 50762906
5-[1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide
CID 50763075
5-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50762916

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide?
The IUPAC name of 5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide (CID 27371259) is 5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide.
What is the SMILES notation for 5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide?
The canonical SMILES for 5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide is CC(C)NC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)NCCCc2ccccc2)c1=O.
What is the InChIKey of 5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide?
The InChIKey is JLACLKLGVLBPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-20(2)29-24(32)16-8-9-18-30-26(34)22-14-6-7-15-23(22)31(27(30)35)19-25(33)28-17-10-13-21-11-4-3-5-12-21/h3-7,11-12,14-15,20H,8-10,13,16-19H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of 5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide?
5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide has a molecular weight of 478.59 g/mol, XLogP of 2.61, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide is sourced from PubChem (CID 27371259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).