4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide

C31H29N9O4 — CID 68915299

IUPAC4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ccc(-c5cnc(OC)nc5)cc4n3)cn2)cc1
InChIInChI=1S/C31H29N9O4/c1-32-29(41)19-3-7-23(8-4-19)36-30(42)38-26-10-6-21(16-33-26)27-37-25-15-20(22-17-34-31(43-2)35-18-22)5-9-24(25)28(39-27)40-11-13-44-14-12-40/h3-10,15-18H,11-14H2,1-2H3,(H,32,41)(H2,33,36,38,42)
InChIKeyPZXUHYAKZZYLRG-UHFFFAOYSA-N
MW591.63 g/mol
LogP4.00
Rot. Bonds7

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

4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide (PubChem CID 68915299) has the molecular formula C31H29N9O4 and a molecular weight of 591.63 g/mol. Its IUPAC name is 4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide
PubChem CID68915299
Molecular FormulaC31H29N9O4
Molecular Weight591.63 g/mol
Exact Mass591.23
IUPAC Name4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ccc(-c5cnc(OC)nc5)cc4n3)cn2)cc1
InChIInChI=1S/C31H29N9O4/c1-32-29(41)19-3-7-23(8-4-19)36-30(42)38-26-10-6-21(16-33-26)27-37-25-15-20(22-17-34-31(43-2)35-18-22)5-9-24(25)28(39-27)40-11-13-44-14-12-40/h3-10,15-18H,11-14H2,1-2H3,(H,32,41)(H2,33,36,38,42)
InChIKeyPZXUHYAKZZYLRG-UHFFFAOYSA-N
XLogP4.00
TPSA156.38 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.63
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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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
1-[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 161015120
N,N-dimethyl-4-[[5-[7-(1-methylpyrazol-4-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]benzamide
CID 57335758
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-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 67515024
2-fluoro-4-[[4-[7-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 57335480
2,3-dimethyl-4-[[5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]benzamide
CID 67514313
4-[[4-[7-(furan-3-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 67515033
4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-N-methylbenzamide
CID 73057746
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-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea
CID 89181939

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide?
The IUPAC name of 4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide (CID 68915299) is 4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide?
The canonical SMILES for 4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ccc(-c5cnc(OC)nc5)cc4n3)cn2)cc1.
What is the InChIKey of 4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide?
The InChIKey is PZXUHYAKZZYLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N9O4/c1-32-29(41)19-3-7-23(8-4-19)36-30(42)38-26-10-6-21(16-33-26)27-37-25-15-20(22-17-34-31(43-2)35-18-22)5-9-24(25)28(39-27)40-11-13-44-14-12-40/h3-10,15-18H,11-14H2,1-2H3,(H,32,41)(H2,33,36,38,42).
What are the key properties of 4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide?
4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide has a molecular weight of 591.63 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide is sourced from PubChem (CID 68915299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).