N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide

C28H28N4O3 — CID 60590474

IUPACN-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCc1cccc(OCCN2CCOCC2)c1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C28H28N4O3/c33-28(25-19-27(22-8-10-29-11-9-22)31-26-7-2-1-6-24(25)26)30-20-21-4-3-5-23(18-21)35-17-14-32-12-15-34-16-13-32/h1-11,18-19H,12-17,20H2,(H,30,33)
InChIKeyDAQKMIHMCABUAI-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.94
Rot. Bonds8

About N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 60590474) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID60590474
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCc1cccc(OCCN2CCOCC2)c1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C28H28N4O3/c33-28(25-19-27(22-8-10-29-11-9-22)31-26-7-2-1-6-24(25)26)30-20-21-4-3-5-23(18-21)35-17-14-32-12-15-34-16-13-32/h1-11,18-19H,12-17,20H2,(H,30,33)
InChIKeyDAQKMIHMCABUAI-UHFFFAOYSA-N
XLogP3.94
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
N-morpholin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 2374192
N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 32636581
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624
2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 55533813
3-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 60590384
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749444
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 3442010
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 60590474) is N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NCc1cccc(OCCN2CCOCC2)c1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is DAQKMIHMCABUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c33-28(25-19-27(22-8-10-29-11-9-22)31-26-7-2-1-6-24(25)26)30-20-21-4-3-5-23(18-21)35-17-14-32-12-15-34-16-13-32/h1-11,18-19H,12-17,20H2,(H,30,33).
What are the key properties of N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 60590474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).