N-[2-[7-chloro-2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide

C26H24ClN7O3 — CID 175030936

About N-[2-[7-chloro-2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide

N-[2-[7-chloro-2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide (PubChem CID 175030936) has the molecular formula C26H24ClN7O3 and a molecular weight of 517.98 g/mol. Its IUPAC name is N-[2-[7-chloro-2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[2-[7-chloro-2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
• PubChem CID: 175030936
• Molecular Formula: C26H24ClN7O3
• Molecular Weight: 517.98 g/mol
• Exact Mass: 517.16
• IUPAC Name: N-[2-[7-chloro-2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1ccnc(-c2c(Cl)ccc3cnc(Nc4ccc(C5CNCCO5)nc4OC)nc23)c1
• InChI: InChI=1S/C26H24ClN7O3/c1-3-22(35)31-16-8-9-29-20(12-16)23-17(27)5-4-15-13-30-26(34-24(15)23)33-19-7-6-18(32-25(19)36-2)21-14-28-10-11-37-21/h3-9,12-13,21,28H,1,10-11,14H2,2H3,(H,29,31,35)(H,30,33,34)
• InChIKey: HNMAQBPWGVUYKJ-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 123.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.98
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-chloro-2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide?

The IUPAC name of N-[2-[7-chloro-2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide (CID 175030936) is N-[2-[7-chloro-2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide.

What is the SMILES notation for N-[2-[7-chloro-2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide?

The canonical SMILES for N-[2-[7-chloro-2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide is C=CC(=O)Nc1ccnc(-c2c(Cl)ccc3cnc(Nc4ccc(C5CNCCO5)nc4OC)nc23)c1.

What is the InChIKey of N-[2-[7-chloro-2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide?

The InChIKey is HNMAQBPWGVUYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O3/c1-3-22(35)31-16-8-9-29-20(12-16)23-17(27)5-4-15-13-30-26(34-24(15)23)33-19-7-6-18(32-25(19)36-2)21-14-28-10-11-37-21/h3-9,12-13,21,28H,1,10-11,14H2,2H3,(H,29,31,35)(H,30,33,34).

What are the key properties of N-[2-[7-chloro-2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide?

N-[2-[7-chloro-2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide has a molecular weight of 517.98 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[7-chloro-2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide is sourced from PubChem (CID 175030936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).