N-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine

C22H27N5O — CID 140543194

IUPACN-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine
SMILESCC(C)Oc1ccc(-c2ccc3nc(NN4CCN(C)CC4)ncc3c2)cc1
InChIInChI=1S/C22H27N5O/c1-16(2)28-20-7-4-17(5-8-20)18-6-9-21-19(14-18)15-23-22(24-21)25-27-12-10-26(3)11-13-27/h4-9,14-16H,10-13H2,1-3H3,(H,23,24,25)
InChIKeyMQXQGKGCMCUDMC-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.66
Rot. Bonds5

About N-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine

N-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine (PubChem CID 140543194) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine
PubChem CID140543194
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine
SMILESCC(C)Oc1ccc(-c2ccc3nc(NN4CCN(C)CC4)ncc3c2)cc1
InChIInChI=1S/C22H27N5O/c1-16(2)28-20-7-4-17(5-8-20)18-6-9-21-19(14-18)15-23-22(24-21)25-27-12-10-26(3)11-13-27/h4-9,14-16H,10-13H2,1-3H3,(H,23,24,25)
InChIKeyMQXQGKGCMCUDMC-UHFFFAOYSA-N
XLogP3.66
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine
CID 140543119
[4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol
CID 140543179
6-(2-ethoxypyrimidin-5-yl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 140543183
6-(3-ethoxyphenyl)-N-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 140543218
N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine
CID 140543082
N-(4-methylpiperazin-1-yl)-6-(3-nitrophenyl)quinazolin-2-amine
CID 140543145
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
N,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide
CID 140543104
N-(4-methylpiperazin-1-yl)-6-(6-phenylmethoxy-3-pyridinyl)quinazolin-2-amine
CID 140543173
7-methoxy-N-(4-methylpiperazin-1-yl)-[1]benzothiolo[3,2-d]pyrimidin-2-amine
CID 66740201
N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 83010902

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine?
The IUPAC name of N-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine (CID 140543194) is N-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine is CC(C)Oc1ccc(-c2ccc3nc(NN4CCN(C)CC4)ncc3c2)cc1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine?
The InChIKey is MQXQGKGCMCUDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16(2)28-20-7-4-17(5-8-20)18-6-9-21-19(14-18)15-23-22(24-21)25-27-12-10-26(3)11-13-27/h4-9,14-16H,10-13H2,1-3H3,(H,23,24,25).
What are the key properties of N-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine?
N-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine has a molecular weight of 377.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-6-(4-propan-2-yloxyphenyl)quinazolin-2-amine is sourced from PubChem (CID 140543194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).