[(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium

C19H29N4O2+ — CID 7132449

IUPAC[(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium
SMILESCCCNC(=O)CCn1c([C@H](C)[NH2+]CCC)nc2ccccc2c1=O
InChIInChI=1S/C19H28N4O2/c1-4-11-20-14(3)18-22-16-9-7-6-8-15(16)19(25)23(18)13-10-17(24)21-12-5-2/h6-9,14,20H,4-5,10-13H2,1-3H3,(H,21,24)/p+1/t14-/m0/s1
InChIKeyDLDNJLPOYAKBCB-AWEZNQCLSA-O
MW345.47 g/mol
LogP1.35
Rot. Bonds9

About [(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium

[(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium (PubChem CID 7132449) has the molecular formula C19H29N4O2+ and a molecular weight of 345.47 g/mol. Its IUPAC name is [(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium.

Molecular Properties

Compound Name[(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium
PubChem CID7132449
Molecular FormulaC19H29N4O2+
Molecular Weight345.47 g/mol
Exact Mass345.23
IUPAC Name[(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium
SMILESCCCNC(=O)CCn1c([C@H](C)[NH2+]CCC)nc2ccccc2c1=O
InChIInChI=1S/C19H28N4O2/c1-4-11-20-14(3)18-22-16-9-7-6-8-15(16)19(25)23(18)13-10-17(24)21-12-5-2/h6-9,14,20H,4-5,10-13H2,1-3H3,(H,21,24)/p+1/t14-/m0/s1
InChIKeyDLDNJLPOYAKBCB-AWEZNQCLSA-O
XLogP1.35
TPSA80.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium 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

4-fluoro-N-[1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-N-propylbenzamide
CID 42725664
methyl-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]azanium
CID 6941068
3-ethyl-2-[1-(propylamino)ethyl]quinazolin-4-one
CID 5203497
[(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7365239
2-[(1R)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283524
2-[(1S)-1-(butylamino)ethyl]-3-propylquinazolin-4-one
CID 7283521
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165
[(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7231317
[(1S)-1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-methylazanium
CID 6941009
dimethyl-[2-[[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium
CID 7412735
1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea
CID 42713756
N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 42713696

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium?
The IUPAC name of [(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium (CID 7132449) is [(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium.
What is the SMILES notation for [(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium?
The canonical SMILES for [(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium is CCCNC(=O)CCn1c([C@H](C)[NH2+]CCC)nc2ccccc2c1=O.
What is the InChIKey of [(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium?
The InChIKey is DLDNJLPOYAKBCB-AWEZNQCLSA-O. The full InChI is InChI=1S/C19H28N4O2/c1-4-11-20-14(3)18-22-16-9-7-6-8-15(16)19(25)23(18)13-10-17(24)21-12-5-2/h6-9,14,20H,4-5,10-13H2,1-3H3,(H,21,24)/p+1/t14-/m0/s1.
What are the key properties of [(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium?
[(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium has a molecular weight of 345.47 g/mol, XLogP of 1.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[4-oxo-3-[3-oxo-3-(propylamino)propyl]quinazolin-2-yl]ethyl]-propylazanium is sourced from PubChem (CID 7132449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).