2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide

C25H24N6O2 — CID 71180374

IUPAC2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2c(CN3CCOCC3)cccc12
InChIInChI=1S/C25H24N6O2/c26-23(32)19-7-1-2-9-21(19)28-25-20-8-3-5-18(16-31-11-13-33-14-12-31)22(20)29-24(30-25)17-6-4-10-27-15-17/h1-10,15H,11-14,16H2,(H2,26,32)(H,28,29,30)
InChIKeyMVKWYZSQNYKRBV-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.37
Rot. Bonds6

About 2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide

2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide (PubChem CID 71180374) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
PubChem CID71180374
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2c(CN3CCOCC3)cccc12
InChIInChI=1S/C25H24N6O2/c26-23(32)19-7-1-2-9-21(19)28-25-20-8-3-5-18(16-31-11-13-33-14-12-31)22(20)29-24(30-25)17-6-4-10-27-15-17/h1-10,15H,11-14,16H2,(H2,26,32)(H,28,29,30)
InChIKeyMVKWYZSQNYKRBV-UHFFFAOYSA-N
XLogP3.37
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The IUPAC name of 2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide (CID 71180374) is 2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide.
What is the SMILES notation for 2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The canonical SMILES for 2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide is NC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2c(CN3CCOCC3)cccc12.
What is the InChIKey of 2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The InChIKey is MVKWYZSQNYKRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c26-23(32)19-7-1-2-9-21(19)28-25-20-8-3-5-18(16-31-11-13-33-14-12-31)22(20)29-24(30-25)17-6-4-10-27-15-17/h1-10,15H,11-14,16H2,(H2,26,32)(H,28,29,30).
What are the key properties of 2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide has a molecular weight of 440.51 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide is sourced from PubChem (CID 71180374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).