N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride

C15H21ClN4O2 — CID 137098154

IUPACN-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
SMILESCl.NCCCNC(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H20N4O2.ClH/c16-9-4-10-17-14(20)8-3-7-13-18-12-6-2-1-5-11(12)15(21)19-13;/h1-2,5-6H,3-4,7-10,16H2,(H,17,20)(H,18,19,21);1H
InChIKeyBICSYSYQAUZWNE-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.13
Rot. Bonds7

About N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride

N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride (PubChem CID 137098154) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
PubChem CID137098154
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC NameN-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
SMILESCl.NCCCNC(=O)CCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H20N4O2.ClH/c16-9-4-10-17-14(20)8-3-7-13-18-12-6-2-1-5-11(12)15(21)19-13;/h1-2,5-6H,3-4,7-10,16H2,(H,17,20)(H,18,19,21);1H
InChIKeyBICSYSYQAUZWNE-UHFFFAOYSA-N
XLogP1.13
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-3-[(4-oxo-3H-quinazolin-2-yl)methylsulfanyl]propanamide
CID 137052603
N-(4-aminobutyl)-3-[(4-oxo-3H-quinazolin-2-yl)methylsulfanyl]propanamide
CID 137159355
N-[3-(N-ethylanilino)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137279481
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137024790
4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 137119936
4-(4-oxo-3H-quinazolin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 137285634
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
4-(4-oxo-3H-quinazolin-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide
CID 135675737
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137306027
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-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride (CID 137098154) is N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride is Cl.NCCCNC(=O)CCCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride?
The InChIKey is BICSYSYQAUZWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.ClH/c16-9-4-10-17-14(20)8-3-7-13-18-12-6-2-1-5-11(12)15(21)19-13;/h1-2,5-6H,3-4,7-10,16H2,(H,17,20)(H,18,19,21);1H.
What are the key properties of N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride?
N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 137098154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).