2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]benzamide

C23H27N5O2 — CID 155540773

IUPAC2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]benzamide
SMILESCOc1ccc(-c2ccc3ncnc(NCCN4CCCCC4)c3c2)cc1C(N)=O
InChIInChI=1S/C23H27N5O2/c1-30-21-8-6-17(14-19(21)22(24)29)16-5-7-20-18(13-16)23(27-15-26-20)25-9-12-28-10-3-2-4-11-28/h5-8,13-15H,2-4,9-12H2,1H3,(H2,24,29)(H,25,26,27)
InChIKeyRYATVBKGMRPDSJ-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.30
Rot. Bonds7

About 2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]benzamide

2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]benzamide (PubChem CID 155540773) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]benzamide
PubChem CID155540773
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]benzamide
SMILESCOc1ccc(-c2ccc3ncnc(NCCN4CCCCC4)c3c2)cc1C(N)=O
InChIInChI=1S/C23H27N5O2/c1-30-21-8-6-17(14-19(21)22(24)29)16-5-7-20-18(13-16)23(27-15-26-20)25-9-12-28-10-3-2-4-11-28/h5-8,13-15H,2-4,9-12H2,1H3,(H2,24,29)(H,25,26,27)
InChIKeyRYATVBKGMRPDSJ-UHFFFAOYSA-N
XLogP3.30
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]benzamide?
The IUPAC name of 2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]benzamide (CID 155540773) is 2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]benzamide.
What is the SMILES notation for 2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]benzamide?
The canonical SMILES for 2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]benzamide is COc1ccc(-c2ccc3ncnc(NCCN4CCCCC4)c3c2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]benzamide?
The InChIKey is RYATVBKGMRPDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-30-21-8-6-17(14-19(21)22(24)29)16-5-7-20-18(13-16)23(27-15-26-20)25-9-12-28-10-3-2-4-11-28/h5-8,13-15H,2-4,9-12H2,1H3,(H2,24,29)(H,25,26,27).
What are the key properties of 2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]benzamide?
2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(2-piperidin-1-ylethylamino)quinazolin-6-yl]benzamide is sourced from PubChem (CID 155540773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).