N-[(1R)-1-[4-[(7-methoxy-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide

C24H23N5O2 — CID 71583494

IUPACN-[(1R)-1-[4-[(7-methoxy-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
SMILESCOc1cc2nc(Nc3ccc([C@@H](C)NC(C)=O)cc3)ncc2cc1-c1ccncc1
InChIInChI=1S/C24H23N5O2/c1-15(27-16(2)30)17-4-6-20(7-5-17)28-24-26-14-19-12-21(18-8-10-25-11-9-18)23(31-3)13-22(19)29-24/h4-15H,1-3H3,(H,27,30)(H,26,28,29)/t15-/m1/s1
InChIKeySPSZPMDJMNJFLD-OAHLLOKOSA-N
MW413.48 g/mol
LogP4.64
Rot. Bonds6

About N-[(1R)-1-[4-[(7-methoxy-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide

N-[(1R)-1-[4-[(7-methoxy-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide (PubChem CID 71583494) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[(1R)-1-[4-[(7-methoxy-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-[(7-methoxy-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
PubChem CID71583494
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[(1R)-1-[4-[(7-methoxy-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
SMILESCOc1cc2nc(Nc3ccc([C@@H](C)NC(C)=O)cc3)ncc2cc1-c1ccncc1
InChIInChI=1S/C24H23N5O2/c1-15(27-16(2)30)17-4-6-20(7-5-17)28-24-26-14-19-12-21(18-8-10-25-11-9-18)23(31-3)13-22(19)29-24/h4-15H,1-3H3,(H,27,30)(H,26,28,29)/t15-/m1/s1
InChIKeySPSZPMDJMNJFLD-OAHLLOKOSA-N
XLogP4.64
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[(7-methoxy-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide?
The IUPAC name of N-[(1R)-1-[4-[(7-methoxy-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide (CID 71583494) is N-[(1R)-1-[4-[(7-methoxy-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1R)-1-[4-[(7-methoxy-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide?
The canonical SMILES for N-[(1R)-1-[4-[(7-methoxy-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide is COc1cc2nc(Nc3ccc([C@@H](C)NC(C)=O)cc3)ncc2cc1-c1ccncc1.
What is the InChIKey of N-[(1R)-1-[4-[(7-methoxy-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide?
The InChIKey is SPSZPMDJMNJFLD-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15(27-16(2)30)17-4-6-20(7-5-17)28-24-26-14-19-12-21(18-8-10-25-11-9-18)23(31-3)13-22(19)29-24/h4-15H,1-3H3,(H,27,30)(H,26,28,29)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[4-[(7-methoxy-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide?
N-[(1R)-1-[4-[(7-methoxy-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide has a molecular weight of 413.48 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-[(7-methoxy-6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide is sourced from PubChem (CID 71583494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).