2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol

C19H28N4O3 — CID 141094972

IUPAC2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol
SMILESCOc1cc2c(N)ncnc2cc1OCCCN1CCCCC1CCO
InChIInChI=1S/C19H28N4O3/c1-25-17-11-15-16(21-13-22-19(15)20)12-18(17)26-10-4-8-23-7-3-2-5-14(23)6-9-24/h11-14,24H,2-10H2,1H3,(H2,20,21,22)
InChIKeyIZWHBUNVKBLJJA-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.23
Rot. Bonds8

About 2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol

2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol (PubChem CID 141094972) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol
PubChem CID141094972
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol
SMILESCOc1cc2c(N)ncnc2cc1OCCCN1CCCCC1CCO
InChIInChI=1S/C19H28N4O3/c1-25-17-11-15-16(21-13-22-19(15)20)12-18(17)26-10-4-8-23-7-3-2-5-14(23)6-9-24/h11-14,24H,2-10H2,1H3,(H2,20,21,22)
InChIKeyIZWHBUNVKBLJJA-UHFFFAOYSA-N
XLogP2.23
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol
CID 141094981
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 22649262
[(2S)-1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]pyrrolidin-2-yl]methanol
CID 25252963
N-(3-chloro-4-fluorophenyl)-6-[3-[(2R)-2-ethylpiperidin-1-yl]propoxy]-7-methoxyquinazolin-4-amine
CID 72544473
1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine
CID 174731053
2-[1-[3-[4-[[5-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-2-yl]ethyl dihydrogen phosphate
CID 10417078
3-[(2S)-1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperidin-2-yl]pentan-3-ol
CID 72544700
2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol
CID 60690500
4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline
CID 10980561
N-(3,4-difluorophenyl)-2-[2-[[7-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide
CID 87769451
3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466981
2-[2-(3-fluorophenyl)-4-[[7-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propoxy]-6-methoxyquinazolin-4-yl]amino]-3H-pyrazol-1-yl]acetamide
CID 68638289

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol (CID 141094972) is 2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol is COc1cc2c(N)ncnc2cc1OCCCN1CCCCC1CCO.
What is the InChIKey of 2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol?
The InChIKey is IZWHBUNVKBLJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-25-17-11-15-16(21-13-22-19(15)20)12-18(17)26-10-4-8-23-7-3-2-5-14(23)6-9-24/h11-14,24H,2-10H2,1H3,(H2,20,21,22).
What are the key properties of 2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol?
2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol has a molecular weight of 360.46 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 141094972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).