4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide

C19H27BrN4O3 — CID 73215632

IUPAC4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide
SMILESCCN(CC)CCCNC(=O)CCCN1C(=O)N=C2C=CC(Br)=CC2C1=O
InChIInChI=1S/C19H27BrN4O3/c1-3-23(4-2)11-6-10-21-17(25)7-5-12-24-18(26)15-13-14(20)8-9-16(15)22-19(24)27/h8-9,13,15H,3-7,10-12H2,1-2H3,(H,21,25)
InChIKeyIXPKURRVHIIOQT-UHFFFAOYSA-N
MW439.35 g/mol
LogP2.48
Rot. Bonds10

About 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide

4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide (PubChem CID 73215632) has the molecular formula C19H27BrN4O3 and a molecular weight of 439.35 g/mol. Its IUPAC name is 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide.

Molecular Properties

Compound Name4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide
PubChem CID73215632
Molecular FormulaC19H27BrN4O3
Molecular Weight439.35 g/mol
Exact Mass438.13
IUPAC Name4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide
SMILESCCN(CC)CCCNC(=O)CCCN1C(=O)N=C2C=CC(Br)=CC2C1=O
InChIInChI=1S/C19H27BrN4O3/c1-3-23(4-2)11-6-10-21-17(25)7-5-12-24-18(26)15-13-14(20)8-9-16(15)22-19(24)27/h8-9,13,15H,3-7,10-12H2,1-2H3,(H,21,25)
InChIKeyIXPKURRVHIIOQT-UHFFFAOYSA-N
XLogP2.48
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide with MolForge

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Related Compounds

2-methyl-3,4a-dihydro-2H-quinazolin-4-one
CID 143167493
6-bromo-3-propyl-4aH-quinazoline-2,4-dione
CID 73195904
4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methoxypropyl)butanamide
CID 73217704
6-bromo-1,3-diethyl-4aH-quinazolin-1-ium-2,4-dione
CID 73345046
4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-pentylbutanamide
CID 73886035
4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-ethylhexyl)butanamide
CID 73886037
N-cyclohexyl-4-(2,4-dioxo-4aH-quinazolin-3-yl)butanamide
CID 73987696
4-(6-bromo-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)-N-butan-2-ylbutanamide
CID 74683715
N-[3-(2,4-dioxo-4aH-quinazolin-3-yl)propyl]-N-[4-[3-(2,4-dioxo-4aH-quinazolin-3-yl)propylamino]butyl]acetamide
CID 74957923
4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-propan-2-yloxypropyl)butanamide
CID 75196754
6-bromo-3-ethyl-4aH-quinazoline-2,4-dione
CID 76845574
N-[3-(diethylamino)propyl]-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 78312940

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide?
The IUPAC name of 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide (CID 73215632) is 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide.
What is the SMILES notation for 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide?
The canonical SMILES for 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide is CCN(CC)CCCNC(=O)CCCN1C(=O)N=C2C=CC(Br)=CC2C1=O.
What is the InChIKey of 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide?
The InChIKey is IXPKURRVHIIOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN4O3/c1-3-23(4-2)11-6-10-21-17(25)7-5-12-24-18(26)15-13-14(20)8-9-16(15)22-19(24)27/h8-9,13,15H,3-7,10-12H2,1-2H3,(H,21,25).
What are the key properties of 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide?
4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide has a molecular weight of 439.35 g/mol, XLogP of 2.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide is sourced from PubChem (CID 73215632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).