N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C23H28N4O2 — CID 137279481

IUPACN-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCCN(CCCNC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C23H28N4O2/c1-2-27(18-10-4-3-5-11-18)17-9-16-24-22(28)15-8-14-21-25-20-13-7-6-12-19(20)23(29)26-21/h3-7,10-13H,2,8-9,14-17H2,1H3,(H,24,28)(H,25,26,29)
InChIKeyRXXKCQGFQPRGPI-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.28
Rot. Bonds10

About N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 137279481) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID137279481
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCCN(CCCNC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C23H28N4O2/c1-2-27(18-10-4-3-5-11-18)17-9-16-24-22(28)15-8-14-21-25-20-13-7-6-12-19(20)23(29)26-21/h3-7,10-13H,2,8-9,14-17H2,1H3,(H,24,28)(H,25,26,29)
InChIKeyRXXKCQGFQPRGPI-UHFFFAOYSA-N
XLogP3.28
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
CID 137098154
4-(1,3-benzothiazol-2-yl)-N-[3-(N-ethylanilino)propyl]butanamide
CID 41278298
N-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide
CID 55452531
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137282586
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 137285634
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide
CID 17427622
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
N-[2-(dimethylsulfamoyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637114
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135927606

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 137279481) is N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is CCN(CCCNC(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is RXXKCQGFQPRGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-2-27(18-10-4-3-5-11-18)17-9-16-24-22(28)15-8-14-21-25-20-13-7-6-12-19(20)23(29)26-21/h3-7,10-13H,2,8-9,14-17H2,1H3,(H,24,28)(H,25,26,29).
What are the key properties of N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 392.50 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 137279481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).