N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide

C23H22BrN3O3 — CID 18887382

IUPACN-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide
SMILESCCC1Nc2ccc(Br)cc2C(=O)N1NC(=O)C(C)Oc1ccc2ccccc2c1
InChIInChI=1S/C23H22BrN3O3/c1-3-21-25-20-11-9-17(24)13-19(20)23(29)27(21)26-22(28)14(2)30-18-10-8-15-6-4-5-7-16(15)12-18/h4-14,21,25H,3H2,1-2H3,(H,26,28)
InChIKeyQXXPWAKVSIDPHK-UHFFFAOYSA-N
MW468.35 g/mol
LogP4.70
Rot. Bonds5

About N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide

N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide (PubChem CID 18887382) has the molecular formula C23H22BrN3O3 and a molecular weight of 468.35 g/mol. Its IUPAC name is N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound NameN-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide
PubChem CID18887382
Molecular FormulaC23H22BrN3O3
Molecular Weight468.35 g/mol
Exact Mass467.08
IUPAC NameN-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide
SMILESCCC1Nc2ccc(Br)cc2C(=O)N1NC(=O)C(C)Oc1ccc2ccccc2c1
InChIInChI=1S/C23H22BrN3O3/c1-3-21-25-20-11-9-17(24)13-19(20)23(29)27(21)26-22(28)14(2)30-18-10-8-15-6-4-5-7-16(15)12-18/h4-14,21,25H,3H2,1-2H3,(H,26,28)
InChIKeyQXXPWAKVSIDPHK-UHFFFAOYSA-N
XLogP4.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.35
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide?
The IUPAC name of N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide (CID 18887382) is N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide is CCC1Nc2ccc(Br)cc2C(=O)N1NC(=O)C(C)Oc1ccc2ccccc2c1.
What is the InChIKey of N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide?
The InChIKey is QXXPWAKVSIDPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN3O3/c1-3-21-25-20-11-9-17(24)13-19(20)23(29)27(21)26-22(28)14(2)30-18-10-8-15-6-4-5-7-16(15)12-18/h4-14,21,25H,3H2,1-2H3,(H,26,28).
What are the key properties of N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide?
N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide has a molecular weight of 468.35 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 18887382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).