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

C22H25N5O3 — CID 155566495

IUPAC2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
SMILESCOc1ccc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)cc1C(N)=O
InChIInChI=1S/C22H25N5O3/c1-29-20-5-3-16(13-18(20)21(23)28)15-2-4-19-17(12-15)22(26-14-25-19)24-6-7-27-8-10-30-11-9-27/h2-5,12-14H,6-11H2,1H3,(H2,23,28)(H,24,25,26)
InChIKeyIRAJOCJVPNHOTJ-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.15
Rot. Bonds7

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

2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide (PubChem CID 155566495) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
PubChem CID155566495
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
SMILESCOc1ccc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)cc1C(N)=O
InChIInChI=1S/C22H25N5O3/c1-29-20-5-3-16(13-18(20)21(23)28)15-2-4-19-17(12-15)22(26-14-25-19)24-6-7-27-8-10-30-11-9-27/h2-5,12-14H,6-11H2,1H3,(H2,23,28)(H,24,25,26)
InChIKeyIRAJOCJVPNHOTJ-UHFFFAOYSA-N
XLogP2.15
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide?
The IUPAC name of 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide (CID 155566495) is 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide.
What is the SMILES notation for 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide?
The canonical SMILES for 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide is COc1ccc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide?
The InChIKey is IRAJOCJVPNHOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-29-20-5-3-16(13-18(20)21(23)28)15-2-4-19-17(12-15)22(26-14-25-19)24-6-7-27-8-10-30-11-9-27/h2-5,12-14H,6-11H2,1H3,(H2,23,28)(H,24,25,26).
What are the key properties of 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide?
2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide is sourced from PubChem (CID 155566495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).