(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C20H17N5O3 — CID 97266945

IUPAC(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCOc1ccc2cc(NC(=O)[C@@H](C)n3nnc4ccccc4c3=O)cnc2c1
InChIInChI=1S/C20H17N5O3/c1-12(25-20(27)16-5-3-4-6-17(16)23-24-25)19(26)22-14-9-13-7-8-15(28-2)10-18(13)21-11-14/h3-12H,1-2H3,(H,22,26)/t12-/m1/s1
InChIKeyRTNDLGUOHHSRQA-GFCCVEGCSA-N
MW375.39 g/mol
LogP2.55
Rot. Bonds4

About (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 97266945) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID97266945
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCOc1ccc2cc(NC(=O)[C@@H](C)n3nnc4ccccc4c3=O)cnc2c1
InChIInChI=1S/C20H17N5O3/c1-12(25-20(27)16-5-3-4-6-17(16)23-24-25)19(26)22-14-9-13-7-8-15(28-2)10-18(13)21-11-14/h3-12H,1-2H3,(H,22,26)/t12-/m1/s1
InChIKeyRTNDLGUOHHSRQA-GFCCVEGCSA-N
XLogP2.55
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 71825572
(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 95395042
(2R)-N-(7-methoxyquinolin-3-yl)-2-(5-methylpyrazol-1-yl)propanamide
CID 95744977
N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4899863
(2S)-N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 7553409
N-(7-methoxyquinolin-3-yl)-2-naphthalen-1-yloxypropanamide
CID 110279383
(2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 95395002
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide
CID 110279376
(2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide
CID 95118182
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 4912205
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4905448
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 97266945) is (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is COc1ccc2cc(NC(=O)[C@@H](C)n3nnc4ccccc4c3=O)cnc2c1.
What is the InChIKey of (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is RTNDLGUOHHSRQA-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-12(25-20(27)16-5-3-4-6-17(16)23-24-25)19(26)22-14-9-13-7-8-15(28-2)10-18(13)21-11-14/h3-12H,1-2H3,(H,22,26)/t12-/m1/s1.
What are the key properties of (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 375.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 97266945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).