N-[2-(dimethylamino)ethyl]-N-methyl-3-(5-oxo-4H-pyrazolo[1,5-a]quinazolin-2-yl)benzamide

C22H23N5O2 — CID 135966078

IUPACN-[2-(dimethylamino)ethyl]-N-methyl-3-(5-oxo-4H-pyrazolo[1,5-a]quinazolin-2-yl)benzamide
SMILESCN(C)CCN(C)C(=O)c1cccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)c1
InChIInChI=1S/C22H23N5O2/c1-25(2)11-12-26(3)22(29)16-8-6-7-15(13-16)18-14-20-23-21(28)17-9-4-5-10-19(17)27(20)24-18/h4-10,13-14H,11-12H2,1-3H3,(H,23,28)
InChIKeyWQJIDQXIYQNQPX-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.48
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-methyl-3-(5-oxo-4H-pyrazolo[1,5-a]quinazolin-2-yl)benzamide

N-[2-(dimethylamino)ethyl]-N-methyl-3-(5-oxo-4H-pyrazolo[1,5-a]quinazolin-2-yl)benzamide (PubChem CID 135966078) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methyl-3-(5-oxo-4H-pyrazolo[1,5-a]quinazolin-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methyl-3-(5-oxo-4H-pyrazolo[1,5-a]quinazolin-2-yl)benzamide
PubChem CID135966078
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methyl-3-(5-oxo-4H-pyrazolo[1,5-a]quinazolin-2-yl)benzamide
SMILESCN(C)CCN(C)C(=O)c1cccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)c1
InChIInChI=1S/C22H23N5O2/c1-25(2)11-12-26(3)22(29)16-8-6-7-15(13-16)18-14-20-23-21(28)17-9-4-5-10-19(17)27(20)24-18/h4-10,13-14H,11-12H2,1-3H3,(H,23,28)
InChIKeyWQJIDQXIYQNQPX-UHFFFAOYSA-N
XLogP2.48
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pha-680632
CID 11249084
2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide
CID 155937487
4-[(4-Acetylphenyl)methyl]-5-(3,4-difluoroanilino)-8,11,11-trimethyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
CID 86279223
7,8-Dihydro-2-(4-acetylbenzyl)-3-(4-fluorophenylamino)-5,7,7-trimethyl-[2H]-imidazo-[1,2-a]pyrazolo[4,3-e]pyrimidin-4(5H)-one
CID 90409046
7-[2-(Prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983736
2-(4-Methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983740
3-methyl-N-[(4S,5S)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 137084692
5-Amino-10,16-bis[2-(dimethylamino)ethyl]-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione
CID 399633
6-[3-Ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]-3-methylquinazolin-4-one
CID 70683591
10,16-Bis[2-(dimethylamino)ethyl]-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione
CID 399629
10-[2-(Dimethylamino)ethyl]-16-[3-(dimethylamino)propyl]-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione
CID 10950098

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-3-(5-oxo-4H-pyrazolo[1,5-a]quinazolin-2-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-3-(5-oxo-4H-pyrazolo[1,5-a]quinazolin-2-yl)benzamide (CID 135966078) is N-[2-(dimethylamino)ethyl]-N-methyl-3-(5-oxo-4H-pyrazolo[1,5-a]quinazolin-2-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methyl-3-(5-oxo-4H-pyrazolo[1,5-a]quinazolin-2-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methyl-3-(5-oxo-4H-pyrazolo[1,5-a]quinazolin-2-yl)benzamide is CN(C)CCN(C)C(=O)c1cccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methyl-3-(5-oxo-4H-pyrazolo[1,5-a]quinazolin-2-yl)benzamide?
The InChIKey is WQJIDQXIYQNQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-25(2)11-12-26(3)22(29)16-8-6-7-15(13-16)18-14-20-23-21(28)17-9-4-5-10-19(17)27(20)24-18/h4-10,13-14H,11-12H2,1-3H3,(H,23,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methyl-3-(5-oxo-4H-pyrazolo[1,5-a]quinazolin-2-yl)benzamide?
N-[2-(dimethylamino)ethyl]-N-methyl-3-(5-oxo-4H-pyrazolo[1,5-a]quinazolin-2-yl)benzamide has a molecular weight of 389.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methyl-3-(5-oxo-4H-pyrazolo[1,5-a]quinazolin-2-yl)benzamide is sourced from PubChem (CID 135966078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).