6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide

C21H25BrN4O3 — CID 22421910

IUPAC6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1
InChIInChI=1S/C21H25BrN4O3/c1-3-25(4-2)13-12-23-19(27)21(29)17-14-15(22)10-11-18(17)24-20(28)26(21)16-8-6-5-7-9-16/h5-11,14,29H,3-4,12-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyGHRQVUBWHLRQDQ-UHFFFAOYSA-N
MW461.36 g/mol
LogP3.10
Rot. Bonds7

About 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide

6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide (PubChem CID 22421910) has the molecular formula C21H25BrN4O3 and a molecular weight of 461.36 g/mol. Its IUPAC name is 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide
PubChem CID22421910
Molecular FormulaC21H25BrN4O3
Molecular Weight461.36 g/mol
Exact Mass460.11
IUPAC Name6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1
InChIInChI=1S/C21H25BrN4O3/c1-3-25(4-2)13-12-23-19(27)21(29)17-14-15(22)10-11-18(17)24-20(28)26(21)16-8-6-5-7-9-16/h5-11,14,29H,3-4,12-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyGHRQVUBWHLRQDQ-UHFFFAOYSA-N
XLogP3.10
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.36
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin-5-ylmethyl)-2-hydroxy-2-phenyl-acetamide
CID 44364170
Indol-2-one, 5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1,3-dihydro-
CID 6420242
5-bromo-3-hydroxy-3-(4-methyl-1-piperidinyl)-1H-indol-2-one
CID 2895217
6-bromo-N-[3-(dimethylamino)propyl]-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 3238244
N-(sec-butyl)-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 3549654
6-bromo-N-[2-(dimethylamino)ethyl]-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 4057808
6-bromo-N-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 4057812
6-bromo-N-(3-ethoxypropyl)-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 4068605
3-(4-chlorophenyl)-4-hydroxy-N-(3-methylbutyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 5084603
N-{2-[benzyl(methyl)amino]ethyl}-4-hydroxy-2-oxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 3242859
6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-oxo-N-propyl-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 3470584
6-bromo-N-[2-(diethylamino)ethyl]-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 3470588

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide?
The IUPAC name of 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide (CID 22421910) is 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide is CCN(CC)CCNC(=O)C1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1.
What is the InChIKey of 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide?
The InChIKey is GHRQVUBWHLRQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN4O3/c1-3-25(4-2)13-12-23-19(27)21(29)17-14-15(22)10-11-18(17)24-20(28)26(21)16-8-6-5-7-9-16/h5-11,14,29H,3-4,12-13H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide?
6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide has a molecular weight of 461.36 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 22421910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).