[4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-2-yl]methanamine

C25H29N3O3 — CID 175998253

IUPAC[4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-2-yl]methanamine
SMILESNCc1nc(C(COC2CCCCO2)(OC2CC2)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C25H29N3O3/c26-16-22-27-21-11-5-4-10-20(21)24(28-22)25(31-19-13-14-19,18-8-2-1-3-9-18)17-30-23-12-6-7-15-29-23/h1-5,8-11,19,23H,6-7,12-17,26H2
InChIKeyUVUJUCMIMMHWQE-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.05
Rot. Bonds8

About [4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-2-yl]methanamine

[4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-2-yl]methanamine (PubChem CID 175998253) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is [4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-2-yl]methanamine
PubChem CID175998253
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name[4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-2-yl]methanamine
SMILESNCc1nc(C(COC2CCCCO2)(OC2CC2)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C25H29N3O3/c26-16-22-27-21-11-5-4-10-20(21)24(28-22)25(31-19-13-14-19,18-8-2-1-3-9-18)17-30-23-12-6-7-15-29-23/h1-5,8-11,19,23H,6-7,12-17,26H2
InChIKeyUVUJUCMIMMHWQE-UHFFFAOYSA-N
XLogP4.05
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-chloro-4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
CID 170961899
(2S)-2-[(2R)-7-bromo-2-methyl-2-phenylheptoxy]oxane
CID 129363836
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
(2R)-2-[(2S)-5-bromo-2-methyl-2-phenylpentoxy]oxane
CID 129382393
4-[4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]-2-[4-[4-methyl-4-(prop-2-ynylamino)piperidin-1-yl]piperidin-1-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 174207515
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
tert-butyl N-[1-[[1-[4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]-6-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-yl]piperidin-4-yl]methyl]-4-methylpiperidin-4-yl]carbamate
CID 170961775
tert-butyl N-[1-[1-[4-[1-cyclopropyloxy-1-(3,5-difluorophenyl)-2-(oxan-2-yloxy)ethyl]-6-iodoquinazolin-2-yl]piperidin-4-yl]-4-methylpiperidin-4-yl]carbamate
CID 170961992
ethyl (2S)-2-(oxan-2-yloxy)-2-phenylpropanoate
CID 100974309
2-(3-trityloxypropoxy)oxane
CID 101461782
tert-butyl N-[1-[1-[4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]quinazolin-2-yl]piperidin-4-yl]-4-methylpiperidin-4-yl]carbamate
CID 170962141
2-(2-phenoxyethoxy)oxane
CID 11736193

Frequently Asked Questions

What is the IUPAC name of [4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-2-yl]methanamine?
The IUPAC name of [4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-2-yl]methanamine (CID 175998253) is [4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-2-yl]methanamine.
What is the SMILES notation for [4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-2-yl]methanamine?
The canonical SMILES for [4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-2-yl]methanamine is NCc1nc(C(COC2CCCCO2)(OC2CC2)c2ccccc2)c2ccccc2n1.
What is the InChIKey of [4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-2-yl]methanamine?
The InChIKey is UVUJUCMIMMHWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c26-16-22-27-21-11-5-4-10-20(21)24(28-22)25(31-19-13-14-19,18-8-2-1-3-9-18)17-30-23-12-6-7-15-29-23/h1-5,8-11,19,23H,6-7,12-17,26H2.
What are the key properties of [4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-2-yl]methanamine?
[4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-2-yl]methanamine has a molecular weight of 419.53 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-cyclopropyloxy-2-(oxan-2-yloxy)-1-phenylethyl]quinazolin-2-yl]methanamine is sourced from PubChem (CID 175998253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).