N-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide

C21H25N5O2 — CID 155555807

IUPACN-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2cnc(OC)nc2)nc2ccccc12
InChIInChI=1S/C21H25N5O2/c1-4-26(5-2)11-10-22-20(27)17-12-19(15-13-23-21(28-3)24-14-15)25-18-9-7-6-8-16(17)18/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,22,27)
InChIKeyZOPINTJKXOYOHF-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.77
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide

N-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide (PubChem CID 155555807) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide
PubChem CID155555807
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2cnc(OC)nc2)nc2ccccc12
InChIInChI=1S/C21H25N5O2/c1-4-26(5-2)11-10-22-20(27)17-12-19(15-13-23-21(28-3)24-14-15)25-18-9-7-6-8-16(17)18/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,22,27)
InChIKeyZOPINTJKXOYOHF-UHFFFAOYSA-N
XLogP2.77
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide
CID 155529565
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4302865
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide
CID 45099957
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 3471977
N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1261381

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide (CID 155555807) is N-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide is CCN(CC)CCNC(=O)c1cc(-c2cnc(OC)nc2)nc2ccccc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide?
The InChIKey is ZOPINTJKXOYOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-26(5-2)11-10-22-20(27)17-12-19(15-13-23-21(28-3)24-14-15)25-18-9-7-6-8-16(17)18/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,22,27).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide?
N-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide is sourced from PubChem (CID 155555807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).