(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone

C19H19N5O4 — CID 19442438

IUPAC(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1noc(C)c1Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C19H19N5O4/c1-12-5-6-17-14(8-12)4-3-7-23(17)19(25)18-16(13(2)28-21-18)11-22-10-15(9-20-22)24(26)27/h5-6,8-10H,3-4,7,11H2,1-2H3
InChIKeyANVKEDMELVPXDK-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.04
Rot. Bonds4

About (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 19442438) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
PubChem CID19442438
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1noc(C)c1Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C19H19N5O4/c1-12-5-6-17-14(8-12)4-3-7-23(17)19(25)18-16(13(2)28-21-18)11-22-10-15(9-20-22)24(26)27/h5-6,8-10H,3-4,7,11H2,1-2H3
InChIKeyANVKEDMELVPXDK-UHFFFAOYSA-N
XLogP3.04
TPSA107.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

[4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19445381
(4-benzylpiperidin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 19442402
5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19442422
5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19442400
N-[4-chloro-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19442457
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19588620
5-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19442429
[4-[(4-chloropyrazol-1-yl)methyl]thiophen-2-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19494531
1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid
CID 19498626
4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-1,2-oxazole-3-carboxamide
CID 19442009
(4-bromo-3-nitrophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 26083841
1-(6-methyl-2,3-dihydroindol-1-yl)-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 111496299

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone (CID 19442438) is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone is Cc1ccc2c(c1)CCCN2C(=O)c1noc(C)c1Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is ANVKEDMELVPXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-12-5-6-17-14(8-12)4-3-7-23(17)19(25)18-16(13(2)28-21-18)11-22-10-15(9-20-22)24(26)27/h5-6,8-10H,3-4,7,11H2,1-2H3.
What are the key properties of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 381.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-methyl-4-[(4-nitropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 19442438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).