N-[(1R)-1-[4-[(8-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide

C24H23N5O — CID 71583604

IUPACN-[(1R)-1-[4-[(8-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
SMILESCC(=O)N[C@H](C)c1ccc(Nc2ncc3cc(-c4ccncc4)cc(C)c3n2)cc1
InChIInChI=1S/C24H23N5O/c1-15-12-20(19-8-10-25-11-9-19)13-21-14-26-24(29-23(15)21)28-22-6-4-18(5-7-22)16(2)27-17(3)30/h4-14,16H,1-3H3,(H,27,30)(H,26,28,29)/t16-/m1/s1
InChIKeyXQQGBYZGHLCQFB-MRXNPFEDSA-N
MW397.48 g/mol
LogP4.94
Rot. Bonds5

About N-[(1R)-1-[4-[(8-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide

N-[(1R)-1-[4-[(8-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide (PubChem CID 71583604) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(1R)-1-[4-[(8-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-[(8-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
PubChem CID71583604
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[(1R)-1-[4-[(8-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
SMILESCC(=O)N[C@H](C)c1ccc(Nc2ncc3cc(-c4ccncc4)cc(C)c3n2)cc1
InChIInChI=1S/C24H23N5O/c1-15-12-20(19-8-10-25-11-9-19)13-21-14-26-24(29-23(15)21)28-22-6-4-18(5-7-22)16(2)27-17(3)30/h4-14,16H,1-3H3,(H,27,30)(H,26,28,29)/t16-/m1/s1
InChIKeyXQQGBYZGHLCQFB-MRXNPFEDSA-N
XLogP4.94
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[(8-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide?
The IUPAC name of N-[(1R)-1-[4-[(8-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide (CID 71583604) is N-[(1R)-1-[4-[(8-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1R)-1-[4-[(8-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide?
The canonical SMILES for N-[(1R)-1-[4-[(8-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide is CC(=O)N[C@H](C)c1ccc(Nc2ncc3cc(-c4ccncc4)cc(C)c3n2)cc1.
What is the InChIKey of N-[(1R)-1-[4-[(8-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide?
The InChIKey is XQQGBYZGHLCQFB-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23N5O/c1-15-12-20(19-8-10-25-11-9-19)13-21-14-26-24(29-23(15)21)28-22-6-4-18(5-7-22)16(2)27-17(3)30/h4-14,16H,1-3H3,(H,27,30)(H,26,28,29)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[4-[(8-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide?
N-[(1R)-1-[4-[(8-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-[(8-methyl-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide is sourced from PubChem (CID 71583604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).