N-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide

C20H21N5O3 — CID 95123950

IUPACN-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide
SMILESCc1cc2c(cc1NC(=O)CN(C)C)NC(=O)C[C@@H]2c1ccc2nonc2c1
InChIInChI=1S/C20H21N5O3/c1-11-6-14-13(12-4-5-15-18(7-12)24-28-23-15)8-19(26)22-17(14)9-16(11)21-20(27)10-25(2)3/h4-7,9,13H,8,10H2,1-3H3,(H,21,27)(H,22,26)/t13-/m1/s1
InChIKeyHHYMDOMLKHRMSW-CYBMUJFWSA-N
MW379.42 g/mol
LogP2.51
Rot. Bonds4

About N-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide

N-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide (PubChem CID 95123950) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide
PubChem CID95123950
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide
SMILESCc1cc2c(cc1NC(=O)CN(C)C)NC(=O)C[C@@H]2c1ccc2nonc2c1
InChIInChI=1S/C20H21N5O3/c1-11-6-14-13(12-4-5-15-18(7-12)24-28-23-15)8-19(26)22-17(14)9-16(11)21-20(27)10-25(2)3/h4-7,9,13H,8,10H2,1-3H3,(H,21,27)(H,22,26)/t13-/m1/s1
InChIKeyHHYMDOMLKHRMSW-CYBMUJFWSA-N
XLogP2.51
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dimethylamino)-N-[6-methyl-2-oxo-4-(1-pyridin-3-ylpyrrol-2-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 169411713
N-[6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-quinolin-7-yl]propanamide
CID 171912632
3-methyl-N-[6-methyl-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]benzamide
CID 50966036
ethyl N-[(4R)-4-(3-fluoro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 95123061
N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide
CID 169416972
(4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 673218
N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide
CID 169410752
9-(3-ethoxy-4-hydroxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3162323
9-(4-methyl-3-nitrophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 2972968
(4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 40645363
2-methoxy-N-[6-methoxy-2-oxo-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 169414742
2-methoxy-N-[6-methoxy-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 169420804

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide (CID 95123950) is N-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide is Cc1cc2c(cc1NC(=O)CN(C)C)NC(=O)C[C@@H]2c1ccc2nonc2c1.
What is the InChIKey of N-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide?
The InChIKey is HHYMDOMLKHRMSW-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-11-6-14-13(12-4-5-15-18(7-12)24-28-23-15)8-19(26)22-17(14)9-16(11)21-20(27)10-25(2)3/h4-7,9,13H,8,10H2,1-3H3,(H,21,27)(H,22,26)/t13-/m1/s1.
What are the key properties of N-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide?
N-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide has a molecular weight of 379.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-(2,1,3-benzoxadiazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 95123950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).