N-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]pentanamide

C25H33N7O4 — CID 23646078

IUPACN-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]pentanamide
SMILESCCCCC(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1
InChIInChI=1S/C25H33N7O4/c1-3-4-6-23(33)31-25-26-15-18(16-27-25)30-24-19-13-21(34-2)22(14-20(19)28-17-29-24)36-10-5-7-32-8-11-35-12-9-32/h13-17H,3-12H2,1-2H3,(H,28,29,30)(H,26,27,31,33)
InChIKeyNLEPHRGVMDOANV-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.40
Rot. Bonds12

About N-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]pentanamide

N-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]pentanamide (PubChem CID 23646078) has the molecular formula C25H33N7O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]pentanamide.

Molecular Properties

Compound NameN-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]pentanamide
PubChem CID23646078
Molecular FormulaC25H33N7O4
Molecular Weight495.58 g/mol
Exact Mass495.26
IUPAC NameN-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]pentanamide
SMILESCCCCC(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1
InChIInChI=1S/C25H33N7O4/c1-3-4-6-23(33)31-25-26-15-18(16-27-25)30-24-19-13-21(34-2)22(14-20(19)28-17-29-24)36-10-5-7-32-8-11-35-12-9-32/h13-17H,3-12H2,1-2H3,(H,28,29,30)(H,26,27,31,33)
InChIKeyNLEPHRGVMDOANV-UHFFFAOYSA-N
XLogP3.40
TPSA123.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]pentanamide?
The IUPAC name of N-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]pentanamide (CID 23646078) is N-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]pentanamide.
What is the SMILES notation for N-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]pentanamide?
The canonical SMILES for N-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]pentanamide is CCCCC(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1.
What is the InChIKey of N-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]pentanamide?
The InChIKey is NLEPHRGVMDOANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O4/c1-3-4-6-23(33)31-25-26-15-18(16-27-25)30-24-19-13-21(34-2)22(14-20(19)28-17-29-24)36-10-5-7-32-8-11-35-12-9-32/h13-17H,3-12H2,1-2H3,(H,28,29,30)(H,26,27,31,33).
What are the key properties of N-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]pentanamide?
N-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]pentanamide has a molecular weight of 495.58 g/mol, XLogP of 3.40, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]pyrimidin-2-yl]pentanamide is sourced from PubChem (CID 23646078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).