2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide

C16H21N5O2 — CID 57481624

IUPAC2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide
SMILESCOc1ccc2nc(N3CCN(C)CC3)nc(CC(N)=O)c2c1
InChIInChI=1S/C16H21N5O2/c1-20-5-7-21(8-6-20)16-18-13-4-3-11(23-2)9-12(13)14(19-16)10-15(17)22/h3-4,9H,5-8,10H2,1-2H3,(H2,17,22)
InChIKeyXZWNRTJWQABHJP-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.42
Rot. Bonds4

About 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide

2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide (PubChem CID 57481624) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide.

Molecular Properties

Compound Name2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide
PubChem CID57481624
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide
SMILESCOc1ccc2nc(N3CCN(C)CC3)nc(CC(N)=O)c2c1
InChIInChI=1S/C16H21N5O2/c1-20-5-7-21(8-6-20)16-18-13-4-3-11(23-2)9-12(13)14(19-16)10-15(17)22/h3-4,9H,5-8,10H2,1-2H3,(H2,17,22)
InChIKeyXZWNRTJWQABHJP-UHFFFAOYSA-N
XLogP0.42
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-6-methoxyquinazoline-2-carboxylic acid
CID 105473523
3-[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]propanal
CID 58475577
2-(5-methoxy-2H-indazol-3-yl)acetamide
CID 76846209
tert-butyl 6-methoxy-2-piperazin-1-ylquinazoline-4-carboxylate
CID 69465845
1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
CID 118759012
6-methoxy-2-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)quinoline
CID 59007243
4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1350768
2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid
CID 67241137
11-methoxy-3,6-bis(4-methylpiperazin-1-yl)phenanthro[9,10-b]quinoxaline
CID 166635790
1-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3-(4-methoxy-2-methylphenyl)urea
CID 122357108
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 122357170
methyl 2-[[1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]-4-methylsulfanylbutanoate
CID 126463580

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide?
The IUPAC name of 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide (CID 57481624) is 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide.
What is the SMILES notation for 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide?
The canonical SMILES for 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide is COc1ccc2nc(N3CCN(C)CC3)nc(CC(N)=O)c2c1.
What is the InChIKey of 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide?
The InChIKey is XZWNRTJWQABHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-20-5-7-21(8-6-20)16-18-13-4-3-11(23-2)9-12(13)14(19-16)10-15(17)22/h3-4,9H,5-8,10H2,1-2H3,(H2,17,22).
What are the key properties of 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide?
2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide has a molecular weight of 315.38 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide is sourced from PubChem (CID 57481624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).