N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide

C27H28N6O — CID 71584661

IUPACN-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
SMILESCN1CCCC1CCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C27H28N6O/c1-33-16-2-3-24(33)12-15-29-26(34)20-4-7-23(8-5-20)31-27-30-18-22-17-21(6-9-25(22)32-27)19-10-13-28-14-11-19/h4-11,13-14,17-18,24H,2-3,12,15-16H2,1H3,(H,29,34)(H,30,31,32)
InChIKeyLZUBRBPDQNOPAH-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.65
Rot. Bonds7

About N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide

N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide (PubChem CID 71584661) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
PubChem CID71584661
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
SMILESCN1CCCC1CCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C27H28N6O/c1-33-16-2-3-24(33)12-15-29-26(34)20-4-7-23(8-5-20)31-27-30-18-22-17-21(6-9-25(22)32-27)19-10-13-28-14-11-19/h4-11,13-14,17-18,24H,2-3,12,15-16H2,1H3,(H,29,34)(H,30,31,32)
InChIKeyLZUBRBPDQNOPAH-UHFFFAOYSA-N
XLogP4.65
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide?
The IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide (CID 71584661) is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide.
What is the SMILES notation for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide?
The canonical SMILES for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide is CN1CCCC1CCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1.
What is the InChIKey of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide?
The InChIKey is LZUBRBPDQNOPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O/c1-33-16-2-3-24(33)12-15-29-26(34)20-4-7-23(8-5-20)31-27-30-18-22-17-21(6-9-25(22)32-27)19-10-13-28-14-11-19/h4-11,13-14,17-18,24H,2-3,12,15-16H2,1H3,(H,29,34)(H,30,31,32).
What are the key properties of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide?
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide has a molecular weight of 452.56 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide is sourced from PubChem (CID 71584661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).