N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride

C14H19ClN4O2 — CID 119502460

IUPACN-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
SMILESCNCCNC(=O)CCn1cnc2ccccc2c1=O.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-15-7-8-16-13(19)6-9-18-10-17-12-5-3-2-4-11(12)14(18)20;/h2-5,10,15H,6-9H2,1H3,(H,16,19);1H
InChIKeyYOHUTFFJXXCUSA-UHFFFAOYSA-N
MW310.78 g/mol
LogP0.54
Rot. Bonds6

About N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride

N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride (PubChem CID 119502460) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.78 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
PubChem CID119502460
Molecular FormulaC14H19ClN4O2
Molecular Weight310.78 g/mol
Exact Mass310.12
IUPAC NameN-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
SMILESCNCCNC(=O)CCn1cnc2ccccc2c1=O.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-15-7-8-16-13(19)6-9-18-10-17-12-5-3-2-4-11(12)14(18)20;/h2-5,10,15H,6-9H2,1H3,(H,16,19);1H
InChIKeyYOHUTFFJXXCUSA-UHFFFAOYSA-N
XLogP0.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872
N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 91818526
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55656687
N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 134041947
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 35828474
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
3-(4-oxoquinazolin-3-yl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 46557320
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122324679

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride (CID 119502460) is N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride is CNCCNC(=O)CCn1cnc2ccccc2c1=O.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride?
The InChIKey is YOHUTFFJXXCUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.ClH/c1-15-7-8-16-13(19)6-9-18-10-17-12-5-3-2-4-11(12)14(18)20;/h2-5,10,15H,6-9H2,1H3,(H,16,19);1H.
What are the key properties of N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride?
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride has a molecular weight of 310.78 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119502460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).