N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine

C22H25N3O2 — CID 133398627

IUPACN-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine
SMILESCC(Nc1ncnc2ccccc12)C(OC1CCOCC1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-16(25-22-19-9-5-6-10-20(19)23-15-24-22)21(17-7-3-2-4-8-17)27-18-11-13-26-14-12-18/h2-10,15-16,18,21H,11-14H2,1H3,(H,23,24,25)
InChIKeyWQFWYGUFRSPFSO-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.37
Rot. Bonds6

About N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine

N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine (PubChem CID 133398627) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine
PubChem CID133398627
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine
SMILESCC(Nc1ncnc2ccccc12)C(OC1CCOCC1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-16(25-22-19-9-5-6-10-20(19)23-15-24-22)21(17-7-3-2-4-8-17)27-18-11-13-26-14-12-18/h2-10,15-16,18,21H,11-14H2,1H3,(H,23,24,25)
InChIKeyWQFWYGUFRSPFSO-UHFFFAOYSA-N
XLogP4.37
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133398549
2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile
CID 133398629
1-(oxan-4-yloxy)-1-phenylpropan-2-amine
CID 55017189
5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 122048985
5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide
CID 133398414
6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile
CID 146107464
5-nitro-2-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine
CID 133398475
4-fluoro-2-nitro-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]aniline
CID 133398628
N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide
CID 129398410
3-[methyl-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]carbamoyl]amino]propanoic acid
CID 122007367
N-methyl-2-(oxan-4-yloxy)-2-phenylethanamine
CID 62107330
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
CID 24508581

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine?
The IUPAC name of N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine (CID 133398627) is N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine.
What is the SMILES notation for N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine?
The canonical SMILES for N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine is CC(Nc1ncnc2ccccc12)C(OC1CCOCC1)c1ccccc1.
What is the InChIKey of N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine?
The InChIKey is WQFWYGUFRSPFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16(25-22-19-9-5-6-10-20(19)23-15-24-22)21(17-7-3-2-4-8-17)27-18-11-13-26-14-12-18/h2-10,15-16,18,21H,11-14H2,1H3,(H,23,24,25).
What are the key properties of N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine?
N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine has a molecular weight of 363.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine is sourced from PubChem (CID 133398627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).