2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide

C14H20N6O — CID 80901097

IUPAC2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc(NN)nc2ccccc12
InChIInChI=1S/C14H20N6O/c1-3-8-16-13(21)9(2)17-12-10-6-4-5-7-11(10)18-14(19-12)20-15/h4-7,9H,3,8,15H2,1-2H3,(H,16,21)(H2,17,18,19,20)
InChIKeyOKVVVXAVSCLCQQ-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.24
Rot. Bonds6

About 2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide

2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide (PubChem CID 80901097) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide
PubChem CID80901097
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc(NN)nc2ccccc12
InChIInChI=1S/C14H20N6O/c1-3-8-16-13(21)9(2)17-12-10-6-4-5-7-11(10)18-14(19-12)20-15/h4-7,9H,3,8,15H2,1-2H3,(H,16,21)(H2,17,18,19,20)
InChIKeyOKVVVXAVSCLCQQ-UHFFFAOYSA-N
XLogP1.24
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-2-hydrazinylquinazolin-4-amine
CID 80932741
2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide
CID 80803173
2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine
CID 80916847
1-N,1-N-diethyl-2-N-(2-hydrazinylquinazolin-4-yl)propane-1,2-diamine
CID 80902005
4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine
CID 80753533
N-(1-ethoxypropan-2-yl)-2-hydrazinylquinazolin-4-amine
CID 80902618
2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine
CID 80915950
N-propyl-2-(quinolin-4-ylamino)propanamide
CID 61480226
2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine
CID 80914929
(2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol
CID 80835823
N-(2,3-dimethylbutyl)-2-hydrazinylquinazolin-4-amine
CID 80917863
2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide
CID 102984187

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide (CID 80901097) is 2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1nc(NN)nc2ccccc12.
What is the InChIKey of 2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide?
The InChIKey is OKVVVXAVSCLCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-8-16-13(21)9(2)17-12-10-6-4-5-7-11(10)18-14(19-12)20-15/h4-7,9H,3,8,15H2,1-2H3,(H,16,21)(H2,17,18,19,20).
What are the key properties of 2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide?
2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide has a molecular weight of 288.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 80901097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).