N-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide

C23H21N5O2 — CID 71274798

IUPACN-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide
SMILESCNC(=O)COc1ccccc1-c1ccc2nc(-c3cccnc3)nc(NC)c2c1
InChIInChI=1S/C23H21N5O2/c1-24-21(29)14-30-20-8-4-3-7-17(20)15-9-10-19-18(12-15)23(25-2)28-22(27-19)16-6-5-11-26-13-16/h3-13H,14H2,1-2H3,(H,24,29)(H,25,27,28)
InChIKeyKSIULSUUUJJKCS-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.53
Rot. Bonds6

About N-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide

N-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide (PubChem CID 71274798) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide
PubChem CID71274798
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide
SMILESCNC(=O)COc1ccccc1-c1ccc2nc(-c3cccnc3)nc(NC)c2c1
InChIInChI=1S/C23H21N5O2/c1-24-21(29)14-30-20-8-4-3-7-17(20)15-9-10-19-18(12-15)23(25-2)28-22(27-19)16-6-5-11-26-13-16/h3-13H,14H2,1-2H3,(H,24,29)(H,25,27,28)
InChIKeyKSIULSUUUJJKCS-UHFFFAOYSA-N
XLogP3.53
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide?
The IUPAC name of N-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide (CID 71274798) is N-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide is CNC(=O)COc1ccccc1-c1ccc2nc(-c3cccnc3)nc(NC)c2c1.
What is the InChIKey of N-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide?
The InChIKey is KSIULSUUUJJKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-24-21(29)14-30-20-8-4-3-7-17(20)15-9-10-19-18(12-15)23(25-2)28-22(27-19)16-6-5-11-26-13-16/h3-13H,14H2,1-2H3,(H,24,29)(H,25,27,28).
What are the key properties of N-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide?
N-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide has a molecular weight of 399.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenoxy]acetamide is sourced from PubChem (CID 71274798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).