N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide

C17H21N5O3 — CID 50982799

IUPACN-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide
SMILESCCC(=O)Nc1cc2c(cc1OC)C(c1ncnn1CC)CC(=O)N2
InChIInChI=1S/C17H21N5O3/c1-4-15(23)21-13-8-12-10(6-14(13)25-3)11(7-16(24)20-12)17-18-9-19-22(17)5-2/h6,8-9,11H,4-5,7H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyRKUMCASTGXWHCF-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.13
Rot. Bonds5

About N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide

N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide (PubChem CID 50982799) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide.

Molecular Properties

Compound NameN-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide
PubChem CID50982799
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide
SMILESCCC(=O)Nc1cc2c(cc1OC)C(c1ncnn1CC)CC(=O)N2
InChIInChI=1S/C17H21N5O3/c1-4-15(23)21-13-8-12-10(6-14(13)25-3)11(7-16(24)20-12)17-18-9-19-22(17)5-2/h6,8-9,11H,4-5,7H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyRKUMCASTGXWHCF-UHFFFAOYSA-N
XLogP2.13
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide?
The IUPAC name of N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide (CID 50982799) is N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide.
What is the SMILES notation for N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide?
The canonical SMILES for N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide is CCC(=O)Nc1cc2c(cc1OC)C(c1ncnn1CC)CC(=O)N2.
What is the InChIKey of N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide?
The InChIKey is RKUMCASTGXWHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-4-15(23)21-13-8-12-10(6-14(13)25-3)11(7-16(24)20-12)17-18-9-19-22(17)5-2/h6,8-9,11H,4-5,7H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide?
N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide has a molecular weight of 343.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide is sourced from PubChem (CID 50982799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).