10-bromo-2-[3-(diethylamino)propoxy]-3-methoxyquinazolino[4,3-b]quinazolin-8-one

C23H25BrN4O3 — CID 141212925

IUPAC10-bromo-2-[3-(diethylamino)propoxy]-3-methoxyquinazolino[4,3-b]quinazolin-8-one
SMILESCCN(CC)CCCOc1cc2c(cc1OC)ncn1c(=O)c3cc(Br)ccc3nc21
InChIInChI=1S/C23H25BrN4O3/c1-4-27(5-2)9-6-10-31-21-12-16-19(13-20(21)30-3)25-14-28-22(16)26-18-8-7-15(24)11-17(18)23(28)29/h7-8,11-14H,4-6,9-10H2,1-3H3
InChIKeyFZQDYUXJTZAMNY-UHFFFAOYSA-N
MW485.38 g/mol
LogP4.28
Rot. Bonds8

About 10-bromo-2-[3-(diethylamino)propoxy]-3-methoxyquinazolino[4,3-b]quinazolin-8-one

10-bromo-2-[3-(diethylamino)propoxy]-3-methoxyquinazolino[4,3-b]quinazolin-8-one (PubChem CID 141212925) has the molecular formula C23H25BrN4O3 and a molecular weight of 485.38 g/mol. Its IUPAC name is 10-bromo-2-[3-(diethylamino)propoxy]-3-methoxyquinazolino[4,3-b]quinazolin-8-one.

Molecular Properties

Compound Name10-bromo-2-[3-(diethylamino)propoxy]-3-methoxyquinazolino[4,3-b]quinazolin-8-one
PubChem CID141212925
Molecular FormulaC23H25BrN4O3
Molecular Weight485.38 g/mol
Exact Mass484.11
IUPAC Name10-bromo-2-[3-(diethylamino)propoxy]-3-methoxyquinazolino[4,3-b]quinazolin-8-one
SMILESCCN(CC)CCCOc1cc2c(cc1OC)ncn1c(=O)c3cc(Br)ccc3nc21
InChIInChI=1S/C23H25BrN4O3/c1-4-27(5-2)9-6-10-31-21-12-16-19(13-20(21)30-3)25-14-28-22(16)26-18-8-7-15(24)11-17(18)23(28)29/h7-8,11-14H,4-6,9-10H2,1-3H3
InChIKeyFZQDYUXJTZAMNY-UHFFFAOYSA-N
XLogP4.28
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-bromo-3-methoxy-2-[3-(4-methylpiperazin-1-yl)propoxy]quinazolino[4,3-b]quinazolin-8-one
CID 141212921
5-[3-(diethylamino)propoxy]-4-methoxy-13-thia-8,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),14-heptaen-11-one
CID 46872444
[7-(3-hydroxypropoxy)-6-methoxy-4-oxoquinazolin-3-yl] 2,2-dimethylbutanoate
CID 69284399
7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one
CID 134112398
N,N-diethyl-3-[6-methoxy-4-(5-nitrothiophen-2-yl)sulfanylquinolin-7-yl]oxypropan-1-amine
CID 58931471
6-bromo-3-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]quinazolin-4-one
CID 18269303
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3,4-dimethoxybenzamide;hydrochloride
CID 44925557
9-ethynyl-2,3-bis(2-methoxyethoxy)benzimidazolo[1,2-c]quinazoline
CID 162345455
(4-bromo-2-fluorophenyl) 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
CID 55456037
4-bromo-6-butoxy-7-methoxyquinazoline
CID 177191947
8,9-dimethoxy-2H-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 132517505
6-bromo-3-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 24577737

Frequently Asked Questions

What is the IUPAC name of 10-bromo-2-[3-(diethylamino)propoxy]-3-methoxyquinazolino[4,3-b]quinazolin-8-one?
The IUPAC name of 10-bromo-2-[3-(diethylamino)propoxy]-3-methoxyquinazolino[4,3-b]quinazolin-8-one (CID 141212925) is 10-bromo-2-[3-(diethylamino)propoxy]-3-methoxyquinazolino[4,3-b]quinazolin-8-one.
What is the SMILES notation for 10-bromo-2-[3-(diethylamino)propoxy]-3-methoxyquinazolino[4,3-b]quinazolin-8-one?
The canonical SMILES for 10-bromo-2-[3-(diethylamino)propoxy]-3-methoxyquinazolino[4,3-b]quinazolin-8-one is CCN(CC)CCCOc1cc2c(cc1OC)ncn1c(=O)c3cc(Br)ccc3nc21.
What is the InChIKey of 10-bromo-2-[3-(diethylamino)propoxy]-3-methoxyquinazolino[4,3-b]quinazolin-8-one?
The InChIKey is FZQDYUXJTZAMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O3/c1-4-27(5-2)9-6-10-31-21-12-16-19(13-20(21)30-3)25-14-28-22(16)26-18-8-7-15(24)11-17(18)23(28)29/h7-8,11-14H,4-6,9-10H2,1-3H3.
What are the key properties of 10-bromo-2-[3-(diethylamino)propoxy]-3-methoxyquinazolino[4,3-b]quinazolin-8-one?
10-bromo-2-[3-(diethylamino)propoxy]-3-methoxyquinazolino[4,3-b]quinazolin-8-one has a molecular weight of 485.38 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-2-[3-(diethylamino)propoxy]-3-methoxyquinazolino[4,3-b]quinazolin-8-one is sourced from PubChem (CID 141212925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).