N-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride

C21H25ClN4O3 — CID 120886485

IUPACN-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C21H24N4O3.ClH/c22-12-15-24(13-10-16-6-2-1-3-7-16)19(26)11-14-25-18-9-5-4-8-17(18)20(27)23-21(25)28;/h1-9H,10-15,22H2,(H,23,27,28);1H
InChIKeyAPCXMEGDPSFAEL-UHFFFAOYSA-N
MW416.91 g/mol
LogP1.53
Rot. Bonds8

About N-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride

N-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride (PubChem CID 120886485) has the molecular formula C21H25ClN4O3 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride
PubChem CID120886485
Molecular FormulaC21H25ClN4O3
Molecular Weight416.91 g/mol
Exact Mass416.16
IUPAC NameN-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C21H24N4O3.ClH/c22-12-15-24(13-10-16-6-2-1-3-7-16)19(26)11-14-25-18-9-5-4-8-17(18)20(27)23-21(25)28;/h1-9H,10-15,22H2,(H,23,27,28);1H
InChIKeyAPCXMEGDPSFAEL-UHFFFAOYSA-N
XLogP1.53
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886319
N-(2-aminoethyl)-2-(2-oxo-3H-benzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120885102
N-(2-aminoethyl)-3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-(2-phenylethyl)propanamide
CID 120885616
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-phenylethyl)propanamide
CID 120885294
N-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide
CID 167771862
1-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]quinazoline-2,4-dione
CID 31952799
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)-N-(2-phenylethyl)propanamide
CID 120886620
N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120886492
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 120884813

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride (CID 120886485) is N-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride is Cl.NCCN(CCc1ccccc1)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of N-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride?
The InChIKey is APCXMEGDPSFAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3.ClH/c22-12-15-24(13-10-16-6-2-1-3-7-16)19(26)11-14-25-18-9-5-4-8-17(18)20(27)23-21(25)28;/h1-9H,10-15,22H2,(H,23,27,28);1H.
What are the key properties of N-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride?
N-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride has a molecular weight of 416.91 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride is sourced from PubChem (CID 120886485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).