N-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine

C25H26N6O — CID 140543173

IUPACN-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine
SMILESCN1CCN(Nc2ncc3cc(-c4ccc(OCc5ccccc5)nc4)ccc3n2)CC1
InChIInChI=1S/C25H26N6O/c1-30-11-13-31(14-12-30)29-25-27-17-22-15-20(7-9-23(22)28-25)21-8-10-24(26-16-21)32-18-19-5-3-2-4-6-19/h2-10,15-17H,11-14,18H2,1H3,(H,27,28,29)
InChIKeyDPRHCPIWHGUSNH-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.85
Rot. Bonds6

About N-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine

N-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine (PubChem CID 140543173) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine
PubChem CID140543173
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine
SMILESCN1CCN(Nc2ncc3cc(-c4ccc(OCc5ccccc5)nc4)ccc3n2)CC1
InChIInChI=1S/C25H26N6O/c1-30-11-13-31(14-12-30)29-25-27-17-22-15-20(7-9-23(22)28-25)21-8-10-24(26-16-21)32-18-19-5-3-2-4-6-19/h2-10,15-17H,11-14,18H2,1H3,(H,27,28,29)
InChIKeyDPRHCPIWHGUSNH-UHFFFAOYSA-N
XLogP3.85
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 140543183
[4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol
CID 140543179
6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 140543218
N-(4-methylpiperazin-1-yl)-6-(5-phenylthiophen-2-yl)quinazolin-2-amine
CID 140543118
N-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine
CID 140543194
N-(4-methylpiperazin-1-yl)-6-(3-nitrophenyl)quinazolin-2-amine
CID 140543145
N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine
CID 140543082
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
methyl 4-(6-phenylmethoxy-3-pyridinyl)benzoate
CID 58748868
8-(2-methylsulfonylpropan-2-yl)-6-[3-(6-phenylmethoxy-3-pyridinyl)phenyl]quinoline
CID 69374134
N,N-dimethyl-3-[[5-(9-phenylmethoxypyrido[1,2-a]benzimidazol-2-yl)-2-pyridinyl]oxy]propan-1-amine
CID 142413732

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine?
The IUPAC name of N-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine (CID 140543173) is N-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine is CN1CCN(Nc2ncc3cc(-c4ccc(OCc5ccccc5)nc4)ccc3n2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine?
The InChIKey is DPRHCPIWHGUSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-30-11-13-31(14-12-30)29-25-27-17-22-15-20(7-9-23(22)28-25)21-8-10-24(26-16-21)32-18-19-5-3-2-4-6-19/h2-10,15-17H,11-14,18H2,1H3,(H,27,28,29).
What are the key properties of N-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine?
N-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine has a molecular weight of 426.52 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine is sourced from PubChem (CID 140543173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).