N-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine

C23H29ClN6O4 — CID 11488696

IUPACN-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine
SMILESCOc1ncc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)cc(OC(C)C)c23)n1
InChIInChI=1S/C23H29ClN6O4/c1-15(2)34-19-12-16(33-8-4-5-30-6-9-32-10-7-30)11-18-20(19)22(27-14-26-18)28-21-17(24)13-25-23(29-21)31-3/h11-15H,4-10H2,1-3H3,(H,25,26,27,28,29)
InChIKeySKPQJGSUUJQCDM-UHFFFAOYSA-N
MW488.98 g/mol
LogP3.71
Rot. Bonds10

About N-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine

N-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine (PubChem CID 11488696) has the molecular formula C23H29ClN6O4 and a molecular weight of 488.98 g/mol. Its IUPAC name is N-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine
PubChem CID11488696
Molecular FormulaC23H29ClN6O4
Molecular Weight488.98 g/mol
Exact Mass488.19
IUPAC NameN-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine
SMILESCOc1ncc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)cc(OC(C)C)c23)n1
InChIInChI=1S/C23H29ClN6O4/c1-15(2)34-19-12-16(33-8-4-5-30-6-9-32-10-7-30)11-18-20(19)22(27-14-26-18)28-21-17(24)13-25-23(29-21)31-3/h11-15H,4-10H2,1-3H3,(H,25,26,27,28,29)
InChIKeySKPQJGSUUJQCDM-UHFFFAOYSA-N
XLogP3.71
TPSA103.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.98
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxypyrimidin-4-yl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
CID 11317087
N-(3-chloro-6-methoxypyrazin-2-yl)-5-propan-2-yloxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 11477003
N-(5-chloro-2-methoxy-4-pyridinyl)-5-propan-2-yloxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
CID 91433483
6-chloro-N-[7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-propan-2-yloxyquinazolin-4-yl]-[1,3]dioxolo[4,5-b]pyridin-7-amine
CID 10368714
N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 11973907
N-[7-(3-morpholin-4-ylpropoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine
CID 118101348
N-(2,4-dichloro-5-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
CID 10144363
4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine
CID 86601567
4-chloro-3-methoxy-N-[5-(3-morpholin-4-ylpropoxy)-7-phenylmethoxyquinazolin-4-yl]benzamide
CID 174448103
N-(3-chloro-4-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5-(oxolan-3-yloxy)quinazolin-4-amine
CID 10186116
N-(5-chloro-2-methoxypyrimidin-4-yl)morpholin-4-amine
CID 83025406
N-[(2S)-4-chloro-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-2-yl]-7-(3-chloropropoxy)-5-propan-2-yloxyquinazolin-4-amine
CID 91078844

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine?
The IUPAC name of N-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine (CID 11488696) is N-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine?
The canonical SMILES for N-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine is COc1ncc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)cc(OC(C)C)c23)n1.
What is the InChIKey of N-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine?
The InChIKey is SKPQJGSUUJQCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O4/c1-15(2)34-19-12-16(33-8-4-5-30-6-9-32-10-7-30)11-18-20(19)22(27-14-26-18)28-21-17(24)13-25-23(29-21)31-3/h11-15H,4-10H2,1-3H3,(H,25,26,27,28,29).
What are the key properties of N-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine?
N-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine has a molecular weight of 488.98 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxypyrimidin-4-yl)-7-(3-morpholin-4-ylpropoxy)-5-propan-2-yloxyquinazolin-4-amine is sourced from PubChem (CID 11488696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).