7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline

C19H23N5O3 — CID 154458074

IUPAC7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline
SMILESCOc1cc2ncnc(Oc3cn[nH]c3)c2cc1OCCCN1CCCC1
InChIInChI=1S/C19H23N5O3/c1-25-17-10-16-15(19(21-13-20-16)27-14-11-22-23-12-14)9-18(17)26-8-4-7-24-5-2-3-6-24/h9-13H,2-8H2,1H3,(H,22,23)
InChIKeyAEMREBLTLGIVKW-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.02
Rot. Bonds8

About 7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline

7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline (PubChem CID 154458074) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline.

Molecular Properties

Compound Name7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline
PubChem CID154458074
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline
SMILESCOc1cc2ncnc(Oc3cn[nH]c3)c2cc1OCCCN1CCCC1
InChIInChI=1S/C19H23N5O3/c1-25-17-10-16-15(19(21-13-20-16)27-14-11-22-23-12-14)9-18(17)26-8-4-7-24-5-2-3-6-24/h9-13H,2-8H2,1H3,(H,22,23)
InChIKeyAEMREBLTLGIVKW-UHFFFAOYSA-N
XLogP3.02
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline
CID 173161815
2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol
CID 173161763
6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 22030540
6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
CID 22030572
6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxylic acid
CID 67520430
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 22649262
4-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 22030798
4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
CID 22030853
6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
CID 22030800
4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 91423965
4-[(6-fluoro-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
CID 22030676
ethane;6-methoxy-4-[[6-methyl-5-[(Z)-prop-1-enyl]-3-pyridinyl]oxy]-7-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]quinazoline
CID 142269993

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline?
The IUPAC name of 7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline (CID 154458074) is 7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline.
What is the SMILES notation for 7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline?
The canonical SMILES for 7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline is COc1cc2ncnc(Oc3cn[nH]c3)c2cc1OCCCN1CCCC1.
What is the InChIKey of 7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline?
The InChIKey is AEMREBLTLGIVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-25-17-10-16-15(19(21-13-20-16)27-14-11-22-23-12-14)9-18(17)26-8-4-7-24-5-2-3-6-24/h9-13H,2-8H2,1H3,(H,22,23).
What are the key properties of 7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline?
7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline has a molecular weight of 369.43 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline is sourced from PubChem (CID 154458074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).