N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide

C32H30N8O4 — CID 67516188

IUPACN-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
SMILESCOc1ncc(-c2ccc3c(N4CCOCC4)nc(-c4ccc(NC(=O)Nc5ccc(NC(C)=O)cc5)cc4)nc3c2)cn1
InChIInChI=1S/C32H30N8O4/c1-20(41)35-24-8-10-26(11-9-24)37-31(42)36-25-6-3-21(4-7-25)29-38-28-17-22(23-18-33-32(43-2)34-19-23)5-12-27(28)30(39-29)40-13-15-44-16-14-40/h3-12,17-19H,13-16H2,1-2H3,(H,35,41)(H2,36,37,42)
InChIKeyQICWUCZHHXJSON-UHFFFAOYSA-N
MW590.64 g/mol
LogP5.20
Rot. Bonds7

About N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide

N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide (PubChem CID 67516188) has the molecular formula C32H30N8O4 and a molecular weight of 590.64 g/mol. Its IUPAC name is N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
PubChem CID67516188
Molecular FormulaC32H30N8O4
Molecular Weight590.64 g/mol
Exact Mass590.24
IUPAC NameN-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
SMILESCOc1ncc(-c2ccc3c(N4CCOCC4)nc(-c4ccc(NC(=O)Nc5ccc(NC(C)=O)cc5)cc4)nc3c2)cn1
InChIInChI=1S/C32H30N8O4/c1-20(41)35-24-8-10-26(11-9-24)37-31(42)36-25-6-3-21(4-7-25)29-38-28-17-22(23-18-33-32(43-2)34-19-23)5-12-27(28)30(39-29)40-13-15-44-16-14-40/h3-12,17-19H,13-16H2,1-2H3,(H,35,41)(H2,36,37,42)
InChIKeyQICWUCZHHXJSON-UHFFFAOYSA-N
XLogP5.20
TPSA143.49 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.64
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 161015120
4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide
CID 68915299
N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 67515024
4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 57334276
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
2-fluoro-4-[[4-[7-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 57335480
N-[4-[[4-[7-(2-methyl-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67514586
4-[[4-[7-(furan-3-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 67515033
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-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]benzamide
CID 57335758
N-methyl-N-[4-[[4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67516168

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide (CID 67516188) is N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide is COc1ncc(-c2ccc3c(N4CCOCC4)nc(-c4ccc(NC(=O)Nc5ccc(NC(C)=O)cc5)cc4)nc3c2)cn1.
What is the InChIKey of N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide?
The InChIKey is QICWUCZHHXJSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N8O4/c1-20(41)35-24-8-10-26(11-9-24)37-31(42)36-25-6-3-21(4-7-25)29-38-28-17-22(23-18-33-32(43-2)34-19-23)5-12-27(28)30(39-29)40-13-15-44-16-14-40/h3-12,17-19H,13-16H2,1-2H3,(H,35,41)(H2,36,37,42).
What are the key properties of N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide?
N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide has a molecular weight of 590.64 g/mol, XLogP of 5.20, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 67516188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).