7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride

C19H27ClN4O4 — CID 119662095

IUPAC7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride
SMILESCCn1c(=O)[nH]c2cc(C(=O)N3CCC(OCCCN)CC3)ccc2c1=O.Cl
InChIInChI=1S/C19H26N4O4.ClH/c1-2-23-18(25)15-5-4-13(12-16(15)21-19(23)26)17(24)22-9-6-14(7-10-22)27-11-3-8-20;/h4-5,12,14H,2-3,6-11,20H2,1H3,(H,21,26);1H
InChIKeyWSZNZQIEQNKDPK-UHFFFAOYSA-N
MW410.90 g/mol
LogP1.10
Rot. Bonds6

About 7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride

7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride (PubChem CID 119662095) has the molecular formula C19H27ClN4O4 and a molecular weight of 410.90 g/mol. Its IUPAC name is 7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride.

Molecular Properties

Compound Name7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride
PubChem CID119662095
Molecular FormulaC19H27ClN4O4
Molecular Weight410.90 g/mol
Exact Mass410.17
IUPAC Name7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride
SMILESCCn1c(=O)[nH]c2cc(C(=O)N3CCC(OCCCN)CC3)ccc2c1=O.Cl
InChIInChI=1S/C19H26N4O4.ClH/c1-2-23-18(25)15-5-4-13(12-16(15)21-19(23)26)17(24)22-9-6-14(7-10-22)27-11-3-8-20;/h4-5,12,14H,2-3,6-11,20H2,1H3,(H,21,26);1H
InChIKeyWSZNZQIEQNKDPK-UHFFFAOYSA-N
XLogP1.10
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;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

1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid
CID 119166689
3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 119663753
3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 119539121
3-ethyl-7-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1H-quinazoline-2,4-dione
CID 55827425
[4-(3-aminopropoxy)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119662913
[4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone
CID 79735516
3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione
CID 127729496
7-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione
CID 55813211
[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride
CID 119661929
7-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione
CID 52659839
7-(4-methylpiperazine-1-carbonyl)-3-pentyl-1H-quinazoline-2,4-dione
CID 15992912
methyl 2-(2-chlorophenyl)-2-[4-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperazin-1-yl]acetate
CID 55818662

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride?
The IUPAC name of 7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride (CID 119662095) is 7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride.
What is the SMILES notation for 7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride?
The canonical SMILES for 7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride is CCn1c(=O)[nH]c2cc(C(=O)N3CCC(OCCCN)CC3)ccc2c1=O.Cl.
What is the InChIKey of 7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride?
The InChIKey is WSZNZQIEQNKDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4.ClH/c1-2-23-18(25)15-5-4-13(12-16(15)21-19(23)26)17(24)22-9-6-14(7-10-22)27-11-3-8-20;/h4-5,12,14H,2-3,6-11,20H2,1H3,(H,21,26);1H.
What are the key properties of 7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride?
7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride has a molecular weight of 410.90 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride is sourced from PubChem (CID 119662095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).