N-[5-[7-(2-aminopyrimidin-5-yl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide

C26H24F3N7O4 — CID 138504927

IUPACN-[5-[7-(2-aminopyrimidin-5-yl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1cc(-n2cnc3cc(-c4cnc(N)nc4)ccc3c2=O)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C26H24F3N7O4/c1-15(35-6-8-39-9-7-35)23(37)34-21-11-18(3-5-22(21)40-26(27,28)29)36-14-33-20-10-16(2-4-19(20)24(36)38)17-12-31-25(30)32-13-17/h2-5,10-15H,6-9H2,1H3,(H,34,37)(H2,30,31,32)
InChIKeyHULANHOQKHVLLH-UHFFFAOYSA-N
MW555.52 g/mol
LogP2.98
Rot. Bonds6

About N-[5-[7-(2-aminopyrimidin-5-yl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide

N-[5-[7-(2-aminopyrimidin-5-yl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide (PubChem CID 138504927) has the molecular formula C26H24F3N7O4 and a molecular weight of 555.52 g/mol. Its IUPAC name is N-[5-[7-(2-aminopyrimidin-5-yl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[5-[7-(2-aminopyrimidin-5-yl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide
PubChem CID138504927
Molecular FormulaC26H24F3N7O4
Molecular Weight555.52 g/mol
Exact Mass555.18
IUPAC NameN-[5-[7-(2-aminopyrimidin-5-yl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1cc(-n2cnc3cc(-c4cnc(N)nc4)ccc3c2=O)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C26H24F3N7O4/c1-15(35-6-8-39-9-7-35)23(37)34-21-11-18(3-5-22(21)40-26(27,28)29)36-14-33-20-10-16(2-4-19(20)24(36)38)17-12-31-25(30)32-13-17/h2-5,10-15H,6-9H2,1H3,(H,34,37)(H2,30,31,32)
InChIKeyHULANHOQKHVLLH-UHFFFAOYSA-N
XLogP2.98
TPSA137.49 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.52
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[5-[7-(2-aminopyrimidin-5-yl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide?
The IUPAC name of N-[5-[7-(2-aminopyrimidin-5-yl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide (CID 138504927) is N-[5-[7-(2-aminopyrimidin-5-yl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[5-[7-(2-aminopyrimidin-5-yl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-[5-[7-(2-aminopyrimidin-5-yl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide is CC(C(=O)Nc1cc(-n2cnc3cc(-c4cnc(N)nc4)ccc3c2=O)ccc1OC(F)(F)F)N1CCOCC1.
What is the InChIKey of N-[5-[7-(2-aminopyrimidin-5-yl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide?
The InChIKey is HULANHOQKHVLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O4/c1-15(35-6-8-39-9-7-35)23(37)34-21-11-18(3-5-22(21)40-26(27,28)29)36-14-33-20-10-16(2-4-19(20)24(36)38)17-12-31-25(30)32-13-17/h2-5,10-15H,6-9H2,1H3,(H,34,37)(H2,30,31,32).
What are the key properties of N-[5-[7-(2-aminopyrimidin-5-yl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide?
N-[5-[7-(2-aminopyrimidin-5-yl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide has a molecular weight of 555.52 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-(2-aminopyrimidin-5-yl)-4-oxoquinazolin-3-yl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 138504927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).