N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide

C21H21N5O — CID 112865139

IUPACN-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(N3CCCc4ccccc43)ncn2)cc1
InChIInChI=1S/C21H21N5O/c1-15(27)24-17-8-10-18(11-9-17)25-20-13-21(23-14-22-20)26-12-4-6-16-5-2-3-7-19(16)26/h2-3,5,7-11,13-14H,4,6,12H2,1H3,(H,24,27)(H,22,23,25)
InChIKeyOXRAWPUKMXPYSA-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.26
Rot. Bonds4

About N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112865139) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112865139
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(N3CCCc4ccccc43)ncn2)cc1
InChIInChI=1S/C21H21N5O/c1-15(27)24-17-8-10-18(11-9-17)25-20-13-21(23-14-22-20)26-12-4-6-16-5-2-3-7-19(16)26/h2-3,5,7-11,13-14H,4,6,12H2,1H3,(H,24,27)(H,22,23,25)
InChIKeyOXRAWPUKMXPYSA-UHFFFAOYSA-N
XLogP4.26
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356271
4-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193280
N-cyclopropyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112854768
N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
CID 80847372
N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112902218
N-[3-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 53362968
6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide
CID 109338531
[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341707
6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109356545
6-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179343
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 112859761

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide (CID 112865139) is N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(N3CCCc4ccccc43)ncn2)cc1.
What is the InChIKey of N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is OXRAWPUKMXPYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-15(27)24-17-8-10-18(11-9-17)25-20-13-21(23-14-22-20)26-12-4-6-16-5-2-3-7-19(16)26/h2-3,5,7-11,13-14H,4,6,12H2,1H3,(H,24,27)(H,22,23,25).
What are the key properties of N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112865139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).