[4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol

C20H23N5O — CID 140543179

IUPAC[4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol
SMILESCN1CCN(Nc2ncc3cc(-c4ccc(CO)cc4)ccc3n2)CC1
InChIInChI=1S/C20H23N5O/c1-24-8-10-25(11-9-24)23-20-21-13-18-12-17(6-7-19(18)22-20)16-4-2-15(14-26)3-5-16/h2-7,12-13,26H,8-11,14H2,1H3,(H,21,22,23)
InChIKeyVIPSRMXUDMMKBG-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.36
Rot. Bonds4

About [4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol

[4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol (PubChem CID 140543179) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol
PubChem CID140543179
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol
SMILESCN1CCN(Nc2ncc3cc(-c4ccc(CO)cc4)ccc3n2)CC1
InChIInChI=1S/C20H23N5O/c1-24-8-10-25(11-9-24)23-20-21-13-18-12-17(6-7-19(18)22-20)16-4-2-15(14-26)3-5-16/h2-7,12-13,26H,8-11,14H2,1H3,(H,21,22,23)
InChIKeyVIPSRMXUDMMKBG-UHFFFAOYSA-N
XLogP2.36
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol with MolForge

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Related Compounds

6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 140543183
N-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine
CID 140543194
N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine
CID 140543082
6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 140543218
N-(4-methylpiperazin-1-yl)-6-(3-nitrophenyl)quinazolin-2-amine
CID 140543145
N,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide
CID 140543104
N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine
CID 140543119
N-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine
CID 140543173
N-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine
CID 140543118
N-(4-methylpiperazin-1-yl)-6-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-amine
CID 140543146
[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
CID 126671151
5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 83025864

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol?
The IUPAC name of [4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol (CID 140543179) is [4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol.
What is the SMILES notation for [4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol?
The canonical SMILES for [4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol is CN1CCN(Nc2ncc3cc(-c4ccc(CO)cc4)ccc3n2)CC1.
What is the InChIKey of [4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol?
The InChIKey is VIPSRMXUDMMKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24-8-10-25(11-9-24)23-20-21-13-18-12-17(6-7-19(18)22-20)16-4-2-15(14-26)3-5-16/h2-7,12-13,26H,8-11,14H2,1H3,(H,21,22,23).
What are the key properties of [4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol?
[4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol has a molecular weight of 349.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol is sourced from PubChem (CID 140543179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).