4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one

C22H25N5O3 — CID 166623594

IUPAC4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one
SMILESCOc1ccc(CN2CCNC(=O)C2)cc1-c1ccc2ncnc(NCCO)c2c1
InChIInChI=1S/C22H25N5O3/c1-30-20-5-2-15(12-27-8-6-23-21(29)13-27)10-17(20)16-3-4-19-18(11-16)22(24-7-9-28)26-14-25-19/h2-5,10-11,14,28H,6-9,12-13H2,1H3,(H,23,29)(H,24,25,26)
InChIKeyZWOKHQUHCFOCLT-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.64
Rot. Bonds7

About 4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one

4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one (PubChem CID 166623594) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one
PubChem CID166623594
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one
SMILESCOc1ccc(CN2CCNC(=O)C2)cc1-c1ccc2ncnc(NCCO)c2c1
InChIInChI=1S/C22H25N5O3/c1-30-20-5-2-15(12-27-8-6-23-21(29)13-27)10-17(20)16-3-4-19-18(11-16)22(24-7-9-28)26-14-25-19/h2-5,10-11,14,28H,6-9,12-13H2,1H3,(H,23,29)(H,24,25,26)
InChIKeyZWOKHQUHCFOCLT-UHFFFAOYSA-N
XLogP1.64
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one with MolForge

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Related Compounds

6-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 3232787
2-[(6-methoxyquinazolin-4-yl)amino]ethanol
CID 21002851
4-[[3-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methyl]piperazin-2-one
CID 170504762
N-[3-[2-methoxy-5-[(3-oxopiperazin-1-yl)methyl]phenoxy]propyl]cyclohexanecarboxamide
CID 118756381
4-[[4-[(2S)-3-(azocan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperazin-2-one
CID 25456669
4-[[4-[(2R)-3-(azocan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperazin-2-one
CID 25456679
4-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-4-methoxyphenyl]methyl]piperazin-2-one
CID 97278766
4-[[3-[(2R)-2-hydroxy-3-[methyl(propan-2-yl)amino]propoxy]-4-methoxyphenyl]methyl]piperazin-2-one
CID 97268549
[8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]carbamate
CID 118322034
N-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine
CID 69016844
4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one
CID 8548890
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylquinazolin-4-amine
CID 21002609

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one?
The IUPAC name of 4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one (CID 166623594) is 4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one is COc1ccc(CN2CCNC(=O)C2)cc1-c1ccc2ncnc(NCCO)c2c1.
What is the InChIKey of 4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one?
The InChIKey is ZWOKHQUHCFOCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-30-20-5-2-15(12-27-8-6-23-21(29)13-27)10-17(20)16-3-4-19-18(11-16)22(24-7-9-28)26-14-25-19/h2-5,10-11,14,28H,6-9,12-13H2,1H3,(H,23,29)(H,24,25,26).
What are the key properties of 4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one?
4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one has a molecular weight of 407.47 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[4-(2-hydroxyethylamino)quinazolin-6-yl]-4-methoxyphenyl]methyl]piperazin-2-one is sourced from PubChem (CID 166623594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).