N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C21H21N5O3 — CID 110215824

IUPACN-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1cc(-c2cnc(C)nc2CCNC(=O)C2CC(=O)Nc3ccccc32)on1
InChIInChI=1S/C21H21N5O3/c1-12-9-19(29-26-12)16-11-23-13(2)24-18(16)7-8-22-21(28)15-10-20(27)25-17-6-4-3-5-14(15)17/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,22,28)(H,25,27)
InChIKeyWZUXHFYLNNPEHF-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.53
Rot. Bonds5

About N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 110215824) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID110215824
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1cc(-c2cnc(C)nc2CCNC(=O)C2CC(=O)Nc3ccccc32)on1
InChIInChI=1S/C21H21N5O3/c1-12-9-19(29-26-12)16-11-23-13(2)24-18(16)7-8-22-21(28)15-10-20(27)25-17-6-4-3-5-14(15)17/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,22,28)(H,25,27)
InChIKeyWZUXHFYLNNPEHF-UHFFFAOYSA-N
XLogP2.53
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 110215824) is N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is Cc1cc(-c2cnc(C)nc2CCNC(=O)C2CC(=O)Nc3ccccc32)on1.
What is the InChIKey of N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is WZUXHFYLNNPEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-12-9-19(29-26-12)16-11-23-13(2)24-18(16)7-8-22-21(28)15-10-20(27)25-17-6-4-3-5-14(15)17/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,22,28)(H,25,27).
What are the key properties of N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 110215824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).