N,N-dimethyl-4-[4-(pyridin-4-ylamino)quinazolin-2-yl]benzamide

C22H19N5O — CID 3234274

IUPACN,N-dimethyl-4-[4-(pyridin-4-ylamino)quinazolin-2-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2nc(Nc3ccncc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H19N5O/c1-27(2)22(28)16-9-7-15(8-10-16)20-25-19-6-4-3-5-18(19)21(26-20)24-17-11-13-23-14-12-17/h3-14H,1-2H3,(H,23,24,25,26)
InChIKeyKLZGRCRZGBAWII-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.14
Rot. Bonds4

About N,N-dimethyl-4-[4-(pyridin-4-ylamino)quinazolin-2-yl]benzamide

N,N-dimethyl-4-[4-(pyridin-4-ylamino)quinazolin-2-yl]benzamide (PubChem CID 3234274) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(pyridin-4-ylamino)quinazolin-2-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(pyridin-4-ylamino)quinazolin-2-yl]benzamide
PubChem CID3234274
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN,N-dimethyl-4-[4-(pyridin-4-ylamino)quinazolin-2-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2nc(Nc3ccncc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H19N5O/c1-27(2)22(28)16-9-7-15(8-10-16)20-25-19-6-4-3-5-18(19)21(26-20)24-17-11-13-23-14-12-17/h3-14H,1-2H3,(H,23,24,25,26)
InChIKeyKLZGRCRZGBAWII-UHFFFAOYSA-N
XLogP4.14
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(pyridin-4-ylamino)quinazolin-2-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[4-(pyridin-4-ylamino)quinazolin-2-yl]benzamide (CID 3234274) is N,N-dimethyl-4-[4-(pyridin-4-ylamino)quinazolin-2-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(pyridin-4-ylamino)quinazolin-2-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[4-(pyridin-4-ylamino)quinazolin-2-yl]benzamide is CN(C)C(=O)c1ccc(-c2nc(Nc3ccncc3)c3ccccc3n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-(pyridin-4-ylamino)quinazolin-2-yl]benzamide?
The InChIKey is KLZGRCRZGBAWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-27(2)22(28)16-9-7-15(8-10-16)20-25-19-6-4-3-5-18(19)21(26-20)24-17-11-13-23-14-12-17/h3-14H,1-2H3,(H,23,24,25,26).
What are the key properties of N,N-dimethyl-4-[4-(pyridin-4-ylamino)quinazolin-2-yl]benzamide?
N,N-dimethyl-4-[4-(pyridin-4-ylamino)quinazolin-2-yl]benzamide has a molecular weight of 369.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(pyridin-4-ylamino)quinazolin-2-yl]benzamide is sourced from PubChem (CID 3234274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).