N-cyclopropyl-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide

C25H29N5O2 — CID 164570004

IUPACN-cyclopropyl-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide
SMILESO=C(NC1CC1)c1cccc(OCCNc2nc(N3CCCCC3)nc3ccccc23)c1
InChIInChI=1S/C25H29N5O2/c31-24(27-19-11-12-19)18-7-6-8-20(17-18)32-16-13-26-23-21-9-2-3-10-22(21)28-25(29-23)30-14-4-1-5-15-30/h2-3,6-10,17,19H,1,4-5,11-16H2,(H,27,31)(H,26,28,29)
InChIKeyHOEQLQWVZAPBKU-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.00
Rot. Bonds8

About N-cyclopropyl-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide

N-cyclopropyl-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide (PubChem CID 164570004) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide
PubChem CID164570004
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-cyclopropyl-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide
SMILESO=C(NC1CC1)c1cccc(OCCNc2nc(N3CCCCC3)nc3ccccc23)c1
InChIInChI=1S/C25H29N5O2/c31-24(27-19-11-12-19)18-7-6-8-20(17-18)32-16-13-26-23-21-9-2-3-10-22(21)28-25(29-23)30-14-4-1-5-15-30/h2-3,6-10,17,19H,1,4-5,11-16H2,(H,27,31)(H,26,28,29)
InChIKeyHOEQLQWVZAPBKU-UHFFFAOYSA-N
XLogP4.00
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide?
The IUPAC name of N-cyclopropyl-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide (CID 164570004) is N-cyclopropyl-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide?
The canonical SMILES for N-cyclopropyl-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide is O=C(NC1CC1)c1cccc(OCCNc2nc(N3CCCCC3)nc3ccccc23)c1.
What is the InChIKey of N-cyclopropyl-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide?
The InChIKey is HOEQLQWVZAPBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c31-24(27-19-11-12-19)18-7-6-8-20(17-18)32-16-13-26-23-21-9-2-3-10-22(21)28-25(29-23)30-14-4-1-5-15-30/h2-3,6-10,17,19H,1,4-5,11-16H2,(H,27,31)(H,26,28,29).
What are the key properties of N-cyclopropyl-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide?
N-cyclopropyl-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide has a molecular weight of 431.54 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethoxy]benzamide is sourced from PubChem (CID 164570004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).