5-[(1S)-1-naphthalen-2-ylethoxy]quinazoline-2,4-diamine

C20H18N4O — CID 11616895

IUPAC5-[(1S)-1-naphthalen-2-ylethoxy]quinazoline-2,4-diamine
SMILESC[C@H](Oc1cccc2nc(N)nc(N)c12)c1ccc2ccccc2c1
InChIInChI=1S/C20H18N4O/c1-12(14-10-9-13-5-2-3-6-15(13)11-14)25-17-8-4-7-16-18(17)19(21)24-20(22)23-16/h2-12H,1H3,(H4,21,22,23,24)/t12-/m0/s1
InChIKeyAVGZWPGQCRHANX-LBPRGKRZSA-N
MW330.39 g/mol
LogP4.09
Rot. Bonds3

About 5-[(1S)-1-naphthalen-2-ylethoxy]quinazoline-2,4-diamine

5-[(1S)-1-naphthalen-2-ylethoxy]quinazoline-2,4-diamine (PubChem CID 11616895) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[(1S)-1-naphthalen-2-ylethoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[(1S)-1-naphthalen-2-ylethoxy]quinazoline-2,4-diamine
PubChem CID11616895
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name5-[(1S)-1-naphthalen-2-ylethoxy]quinazoline-2,4-diamine
SMILESC[C@H](Oc1cccc2nc(N)nc(N)c12)c1ccc2ccccc2c1
InChIInChI=1S/C20H18N4O/c1-12(14-10-9-13-5-2-3-6-15(13)11-14)25-17-8-4-7-16-18(17)19(21)24-20(22)23-16/h2-12H,1H3,(H4,21,22,23,24)/t12-/m0/s1
InChIKeyAVGZWPGQCRHANX-LBPRGKRZSA-N
XLogP4.09
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-naphthalen-2-ylethoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[(1S)-1-naphthalen-2-ylethoxy]quinazoline-2,4-diamine (CID 11616895) is 5-[(1S)-1-naphthalen-2-ylethoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[(1S)-1-naphthalen-2-ylethoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[(1S)-1-naphthalen-2-ylethoxy]quinazoline-2,4-diamine is C[C@H](Oc1cccc2nc(N)nc(N)c12)c1ccc2ccccc2c1.
What is the InChIKey of 5-[(1S)-1-naphthalen-2-ylethoxy]quinazoline-2,4-diamine?
The InChIKey is AVGZWPGQCRHANX-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H18N4O/c1-12(14-10-9-13-5-2-3-6-15(13)11-14)25-17-8-4-7-16-18(17)19(21)24-20(22)23-16/h2-12H,1H3,(H4,21,22,23,24)/t12-/m0/s1.
What are the key properties of 5-[(1S)-1-naphthalen-2-ylethoxy]quinazoline-2,4-diamine?
5-[(1S)-1-naphthalen-2-ylethoxy]quinazoline-2,4-diamine has a molecular weight of 330.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-naphthalen-2-ylethoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 11616895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).