3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide

C19H20Cl2N4O3 — CID 131841981

IUPAC3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
SMILESCN(C)CCNC(=O)C1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N4O3/c1-24(2)10-9-22-17(26)19(28)13-5-3-4-6-16(13)23-18(27)25(19)12-7-8-14(20)15(21)11-12/h3-8,11,28H,9-10H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyGHOUMCHHYXMGDP-UHFFFAOYSA-N
MW423.30 g/mol
LogP2.87
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide

3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide (PubChem CID 131841981) has the molecular formula C19H20Cl2N4O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
PubChem CID131841981
Molecular FormulaC19H20Cl2N4O3
Molecular Weight423.30 g/mol
Exact Mass422.09
IUPAC Name3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
SMILESCN(C)CCNC(=O)C1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N4O3/c1-24(2)10-9-22-17(26)19(28)13-5-3-4-6-16(13)23-18(27)25(19)12-7-8-14(20)15(21)11-12/h3-8,11,28H,9-10H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyGHOUMCHHYXMGDP-UHFFFAOYSA-N
XLogP2.87
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichlorophenyl)-4-hydroxy-N-isopropyl-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 3245610
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
N-cyclopropyl-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 3245305
6-bromo-3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 3470590
3-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 4246372
N-{3-[butyl(methyl)amino]propyl}-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 4531843
3-(3,4-dichlorophenyl)-N-[3-(diethylamino)-2-methylpropyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 4531863
N-butyl-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 5213693
4-Hydroxy-3-phenyl-4-(piperidylcarbonyl)-1,3,4-trihydroquinazolin-2-one
CID 2828274
3-(2,6-difluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
CID 4047739

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide (CID 131841981) is 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide is CN(C)CCNC(=O)C1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide?
The InChIKey is GHOUMCHHYXMGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3/c1-24(2)10-9-22-17(26)19(28)13-5-3-4-6-16(13)23-18(27)25(19)12-7-8-14(20)15(21)11-12/h3-8,11,28H,9-10H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide?
3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide has a molecular weight of 423.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 131841981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).