N-(3-bromophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

C19H19BrN4O2 — CID 135490258

IUPACN-(3-bromophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cccc(Br)c1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H19BrN4O2/c1-2-24(12-18(25)21-14-7-5-6-13(20)10-14)11-17-22-16-9-4-3-8-15(16)19(26)23-17/h3-10H,2,11-12H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyJRBZPQRJESOFBL-UHFFFAOYSA-N
MW415.29 g/mol
LogP3.15
Rot. Bonds6

About N-(3-bromophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

N-(3-bromophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (PubChem CID 135490258) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
PubChem CID135490258
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC NameN-(3-bromophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cccc(Br)c1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H19BrN4O2/c1-2-24(12-18(25)21-14-7-5-6-13(20)10-14)11-17-22-16-9-4-3-8-15(16)19(26)23-17/h3-10H,2,11-12H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyJRBZPQRJESOFBL-UHFFFAOYSA-N
XLogP3.15
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (CID 135490258) is N-(3-bromophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is CCN(CC(=O)Nc1cccc(Br)c1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(3-bromophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The InChIKey is JRBZPQRJESOFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c1-2-24(12-18(25)21-14-7-5-6-13(20)10-14)11-17-22-16-9-4-3-8-15(16)19(26)23-17/h3-10H,2,11-12H2,1H3,(H,21,25)(H,22,23,26).
What are the key properties of N-(3-bromophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
N-(3-bromophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide has a molecular weight of 415.29 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 135490258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).