4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide

C22H26N4O3 — CID 118658550

IUPAC4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide
SMILESCCn1c(=O)c2cc(NC(=O)CC(CN)c3ccccc3)ccc2n(CC)c1=O
InChIInChI=1S/C22H26N4O3/c1-3-25-19-11-10-17(13-18(19)21(28)26(4-2)22(25)29)24-20(27)12-16(14-23)15-8-6-5-7-9-15/h5-11,13,16H,3-4,12,14,23H2,1-2H3,(H,24,27)
InChIKeyIQDDCCUYFSEFCY-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.27
Rot. Bonds7

About 4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide

4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide (PubChem CID 118658550) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide
PubChem CID118658550
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide
SMILESCCn1c(=O)c2cc(NC(=O)CC(CN)c3ccccc3)ccc2n(CC)c1=O
InChIInChI=1S/C22H26N4O3/c1-3-25-19-11-10-17(13-18(19)21(28)26(4-2)22(25)29)24-20(27)12-16(14-23)15-8-6-5-7-9-15/h5-11,13,16H,3-4,12,14,23H2,1-2H3,(H,24,27)
InChIKeyIQDDCCUYFSEFCY-UHFFFAOYSA-N
XLogP2.27
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide with MolForge

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Related Compounds

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55987560
(E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide
CID 118658180
N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-methyl-5-(4-methylsulfanylphenoxy)pentanamide
CID 90455020
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
N-[4-(3-chloro-4-cyanoanilino)-4-oxo-2-propan-2-ylbutyl]-1,3-diethyl-2,4-dioxoquinazoline-6-carboxamide
CID 118658743
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 38085602
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55661931
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
2-chloro-N,N-diethyl-4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzamide
CID 55673325
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51248297

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide?
The IUPAC name of 4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide (CID 118658550) is 4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide?
The canonical SMILES for 4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide is CCn1c(=O)c2cc(NC(=O)CC(CN)c3ccccc3)ccc2n(CC)c1=O.
What is the InChIKey of 4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide?
The InChIKey is IQDDCCUYFSEFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-25-19-11-10-17(13-18(19)21(28)26(4-2)22(25)29)24-20(27)12-16(14-23)15-8-6-5-7-9-15/h5-11,13,16H,3-4,12,14,23H2,1-2H3,(H,24,27).
What are the key properties of 4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide?
4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide has a molecular weight of 394.48 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide is sourced from PubChem (CID 118658550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).