N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide

C31H28N8O3 — CID 67515024

IUPACN-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ccc(-c5ccnnc5)cc4n3)cc2)cc1
InChIInChI=1S/C31H28N8O3/c1-20(40)34-24-7-9-26(10-8-24)36-31(41)35-25-5-2-21(3-6-25)29-37-28-18-22(23-12-13-32-33-19-23)4-11-27(28)30(38-29)39-14-16-42-17-15-39/h2-13,18-19H,14-17H2,1H3,(H,34,40)(H2,35,36,41)
InChIKeyAAASAVNFDFNSBL-UHFFFAOYSA-N
MW560.62 g/mol
LogP5.19
Rot. Bonds6

About N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide

N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide (PubChem CID 67515024) has the molecular formula C31H28N8O3 and a molecular weight of 560.62 g/mol. Its IUPAC name is N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide
PubChem CID67515024
Molecular FormulaC31H28N8O3
Molecular Weight560.62 g/mol
Exact Mass560.23
IUPAC NameN-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ccc(-c5ccnnc5)cc4n3)cc2)cc1
InChIInChI=1S/C31H28N8O3/c1-20(40)34-24-7-9-26(10-8-24)36-31(41)35-25-5-2-21(3-6-25)29-37-28-18-22(23-12-13-32-33-19-23)4-11-27(28)30(38-29)39-14-16-42-17-15-39/h2-13,18-19H,14-17H2,1H3,(H,34,40)(H2,35,36,41)
InChIKeyAAASAVNFDFNSBL-UHFFFAOYSA-N
XLogP5.19
TPSA134.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.62
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67516188
N-[4-[[4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 57335185
N-[4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67517625
1-[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 161015120
4-[[4-[7-(furan-3-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 67515033
N-[4-[[4-[7-(2-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67514586
N-[4-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 68913288
N,N-dimethyl-4-[[4-[7-(2-methyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]benzamide
CID 67515760
N-methyl-N-[4-[[4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67516168
N-[4-[[4-[7-(5-ethylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-2-fluorophenyl]acetamide
CID 67514213
N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 68913995
2-fluoro-4-[[4-[7-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 57335480

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide (CID 67515024) is N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ccc(-c5ccnnc5)cc4n3)cc2)cc1.
What is the InChIKey of N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide?
The InChIKey is AAASAVNFDFNSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N8O3/c1-20(40)34-24-7-9-26(10-8-24)36-31(41)35-25-5-2-21(3-6-25)29-37-28-18-22(23-12-13-32-33-19-23)4-11-27(28)30(38-29)39-14-16-42-17-15-39/h2-13,18-19H,14-17H2,1H3,(H,34,40)(H2,35,36,41).
What are the key properties of N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide?
N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide has a molecular weight of 560.62 g/mol, XLogP of 5.19, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 67515024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).