(2R,10S)-10-amino-2-(7-phenylmethoxy-2H-chromen-3-yl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one

C27H25N3O3 — CID 11568361

IUPAC(2R,10S)-10-amino-2-(7-phenylmethoxy-2H-chromen-3-yl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one
SMILESN[C@H]1CCN2c3c(cccc31)C(=O)N[C@H]2C1=Cc2ccc(OCc3ccccc3)cc2OC1
InChIInChI=1S/C27H25N3O3/c28-23-11-12-30-25-21(23)7-4-8-22(25)27(31)29-26(30)19-13-18-9-10-20(14-24(18)33-16-19)32-15-17-5-2-1-3-6-17/h1-10,13-14,23,26H,11-12,15-16,28H2,(H,29,31)/t23-,26+/m0/s1
InChIKeyUYTRJWYQZBKTRL-JYFHCDHNSA-N
MW439.52 g/mol
LogP4.02
Rot. Bonds4

About (2R,10S)-10-amino-2-(7-phenylmethoxy-2H-chromen-3-yl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one

(2R,10S)-10-amino-2-(7-phenylmethoxy-2H-chromen-3-yl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one (PubChem CID 11568361) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is (2R,10S)-10-amino-2-(7-phenylmethoxy-2H-chromen-3-yl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one.

Molecular Properties

Compound Name(2R,10S)-10-amino-2-(7-phenylmethoxy-2H-chromen-3-yl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one
PubChem CID11568361
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name(2R,10S)-10-amino-2-(7-phenylmethoxy-2H-chromen-3-yl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one
SMILESN[C@H]1CCN2c3c(cccc31)C(=O)N[C@H]2C1=Cc2ccc(OCc3ccccc3)cc2OC1
InChIInChI=1S/C27H25N3O3/c28-23-11-12-30-25-21(23)7-4-8-22(25)27(31)29-26(30)19-13-18-9-10-20(14-24(18)33-16-19)32-15-17-5-2-1-3-6-17/h1-10,13-14,23,26H,11-12,15-16,28H2,(H,29,31)/t23-,26+/m0/s1
InChIKeyUYTRJWYQZBKTRL-JYFHCDHNSA-N
XLogP4.02
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,10S)-10-amino-2-(7-phenylmethoxy-2H-chromen-3-yl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one with MolForge

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Related Compounds

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2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 11948118
3-bromo-6-phenylmethoxy-2,3-dihydrochromen-4-one
CID 19600716
(2R)-2-methyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 121271858
4-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid
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N-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine
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Frequently Asked Questions

What is the IUPAC name of (2R,10S)-10-amino-2-(7-phenylmethoxy-2H-chromen-3-yl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one?
The IUPAC name of (2R,10S)-10-amino-2-(7-phenylmethoxy-2H-chromen-3-yl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one (CID 11568361) is (2R,10S)-10-amino-2-(7-phenylmethoxy-2H-chromen-3-yl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one.
What is the SMILES notation for (2R,10S)-10-amino-2-(7-phenylmethoxy-2H-chromen-3-yl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one?
The canonical SMILES for (2R,10S)-10-amino-2-(7-phenylmethoxy-2H-chromen-3-yl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one is N[C@H]1CCN2c3c(cccc31)C(=O)N[C@H]2C1=Cc2ccc(OCc3ccccc3)cc2OC1.
What is the InChIKey of (2R,10S)-10-amino-2-(7-phenylmethoxy-2H-chromen-3-yl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one?
The InChIKey is UYTRJWYQZBKTRL-JYFHCDHNSA-N. The full InChI is InChI=1S/C27H25N3O3/c28-23-11-12-30-25-21(23)7-4-8-22(25)27(31)29-26(30)19-13-18-9-10-20(14-24(18)33-16-19)32-15-17-5-2-1-3-6-17/h1-10,13-14,23,26H,11-12,15-16,28H2,(H,29,31)/t23-,26+/m0/s1.
What are the key properties of (2R,10S)-10-amino-2-(7-phenylmethoxy-2H-chromen-3-yl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one?
(2R,10S)-10-amino-2-(7-phenylmethoxy-2H-chromen-3-yl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one has a molecular weight of 439.52 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,10S)-10-amino-2-(7-phenylmethoxy-2H-chromen-3-yl)-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one is sourced from PubChem (CID 11568361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).